N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine

C133H207N21O3S2 — CID 158018135

IUPACN-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine
SMILESCCN(C)Cc1ccccc1.CN1CCC(Cc2ccccc2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(Cc2ccccc2)CC1.CN1CCN(c2ncccn2)CC1.COc1ccc(CN(C)Cc2ccccn2)cc1.Cc1ccc(CN(C)Cc2ccccn2)s1.Cc1ccc(CN(C)Cc2ccco2)cc1.Cc1ccc(CN(C)Cc2ccco2)s1
InChIInChI=1S/C15H18N2O.C14H17NO.C13H16N2S.C13H19N.C12H18N2.C12H15NOS.C11H22N2.C10H15N.C9H14N4.C6H14N2.3C6H13N/c1-17(12-14-5-3-4-10-16-14)11-13-6-8-15(18-2)9-7-13;1-12-5-7-13(8-6-12)10-15(2)11-14-4-3-9-16-14;1-11-6-7-13(16-11)10-15(2)9-12-5-3-4-8-14-12;1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-10-5-6-12(15-10)9-13(2)8-11-4-3-7-14-11;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-3-11(2)9-10-7-5-4-6-8-10;1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7/h3-10H,11-12H2,1-2H3;3-9H,10-11H2,1-2H3;3-8H,9-10H2,1-2H3;2-6,13H,7-11H2,1H3;2-6H,7-11H2,1H3;3-7H,8-9H2,1-2H3;11H,2-10H2,1H3;4-8H,3,9H2,1-2H3;2-4H,5-8H2,1H3;3-6H2,1-2H3;3*2-6H2,1H3
InChIKeyFFSOYKHSXGYAGY-UHFFFAOYSA-N
MW2212.40 g/mol
LogP23.42
Rot. Bonds26

About N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine

N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine (PubChem CID 158018135) has the molecular formula C133H207N21O3S2 and a molecular weight of 2212.40 g/mol. Its IUPAC name is N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound NameN-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine
PubChem CID158018135
Molecular FormulaC133H207N21O3S2
Molecular Weight2212.40 g/mol
Exact Mass2210.61
IUPAC NameN-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine
SMILESCCN(C)Cc1ccccc1.CN1CCC(Cc2ccccc2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(Cc2ccccc2)CC1.CN1CCN(c2ncccn2)CC1.COc1ccc(CN(C)Cc2ccccn2)cc1.Cc1ccc(CN(C)Cc2ccccn2)s1.Cc1ccc(CN(C)Cc2ccco2)cc1.Cc1ccc(CN(C)Cc2ccco2)s1
InChIInChI=1S/C15H18N2O.C14H17NO.C13H16N2S.C13H19N.C12H18N2.C12H15NOS.C11H22N2.C10H15N.C9H14N4.C6H14N2.3C6H13N/c1-17(12-14-5-3-4-10-16-14)11-13-6-8-15(18-2)9-7-13;1-12-5-7-13(8-6-12)10-15(2)11-14-4-3-9-16-14;1-11-6-7-13(16-11)10-15(2)9-12-5-3-4-8-14-12;1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-10-5-6-12(15-10)9-13(2)8-11-4-3-7-14-11;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-3-11(2)9-10-7-5-4-6-8-10;1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7/h3-10H,11-12H2,1-2H3;3-9H,10-11H2,1-2H3;3-8H,9-10H2,1-2H3;2-6,13H,7-11H2,1H3;2-6H,7-11H2,1H3;3-7H,8-9H2,1-2H3;11H,2-10H2,1H3;4-8H,3,9H2,1-2H3;2-4H,5-8H2,1H3;3-6H2,1-2H3;3*2-6H2,1H3
InChIKeyFFSOYKHSXGYAGY-UHFFFAOYSA-N
XLogP23.42
TPSA142.15 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002212.40
LogP ≤ 523.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine?
The IUPAC name of N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine (CID 158018135) is N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine is CCN(C)Cc1ccccc1.CN1CCC(Cc2ccccc2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(Cc2ccccc2)CC1.CN1CCN(c2ncccn2)CC1.COc1ccc(CN(C)Cc2ccccn2)cc1.Cc1ccc(CN(C)Cc2ccccn2)s1.Cc1ccc(CN(C)Cc2ccco2)cc1.Cc1ccc(CN(C)Cc2ccco2)s1.
What is the InChIKey of N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine?
The InChIKey is FFSOYKHSXGYAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.C14H17NO.C13H16N2S.C13H19N.C12H18N2.C12H15NOS.C11H22N2.C10H15N.C9H14N4.C6H14N2.3C6H13N/c1-17(12-14-5-3-4-10-16-14)11-13-6-8-15(18-2)9-7-13;1-12-5-7-13(8-6-12)10-15(2)11-14-4-3-9-16-14;1-11-6-7-13(16-11)10-15(2)9-12-5-3-4-8-14-12;1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-10-5-6-12(15-10)9-13(2)8-11-4-3-7-14-11;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-3-11(2)9-10-7-5-4-6-8-10;1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7/h3-10H,11-12H2,1-2H3;3-9H,10-11H2,1-2H3;3-8H,9-10H2,1-2H3;2-6,13H,7-11H2,1H3;2-6H,7-11H2,1H3;3-7H,8-9H2,1-2H3;11H,2-10H2,1H3;4-8H,3,9H2,1-2H3;2-4H,5-8H2,1H3;3-6H2,1-2H3;3*2-6H2,1H3.
What are the key properties of N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine?
N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine has a molecular weight of 2212.40 g/mol, XLogP of 23.42, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylethanamine;1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;1,4-dimethylpiperazine;N-(furan-2-ylmethyl)-N-methyl-1-(4-methylphenyl)methanamine;1-(furan-2-yl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]methanamine;1-(4-methoxyphenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine;N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine;2-(4-methylpiperazin-1-yl)pyrimidine;tris(1-methylpiperidine);1-methyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 158018135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).