N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine

C16H26N2 — CID 103992171

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine
SMILESCc1cccc(CNCC2(C)CCN(C)CC2)c1
InChIInChI=1S/C16H26N2/c1-14-5-4-6-15(11-14)12-17-13-16(2)7-9-18(3)10-8-16/h4-6,11,17H,7-10,12-13H2,1-3H3
InChIKeyCRZNBRMPIOEHNI-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine (PubChem CID 103992171) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine
PubChem CID103992171
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine
SMILESCc1cccc(CNCC2(C)CCN(C)CC2)c1
InChIInChI=1S/C16H26N2/c1-14-5-4-6-15(11-14)12-17-13-16(2)7-9-18(3)10-8-16/h4-6,11,17H,7-10,12-13H2,1-3H3
InChIKeyCRZNBRMPIOEHNI-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991987
1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991997
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 107163493
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
4-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 107163570
3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724255
1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266984
2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 28728842
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
2-[(3-methylphenyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60903513
1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 107163192

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine (CID 103992171) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine is Cc1cccc(CNCC2(C)CCN(C)CC2)c1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine?
The InChIKey is CRZNBRMPIOEHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-5-4-6-15(11-14)12-17-13-16(2)7-9-18(3)10-8-16/h4-6,11,17H,7-10,12-13H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 103992171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).