1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine

C19H31N3 — CID 126443842

IUPAC1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine
SMILESCc1cc(C)cc(N2CCC(NC[C@H]3CCCNC3)CC2)c1
InChIInChI=1S/C19H31N3/c1-15-10-16(2)12-19(11-15)22-8-5-18(6-9-22)21-14-17-4-3-7-20-13-17/h10-12,17-18,20-21H,3-9,13-14H2,1-2H3/t17-/m0/s1
InChIKeyNBPCHNHFOCIWHT-KRWDZBQOSA-N
MW301.48 g/mol
LogP2.86
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine

1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine (PubChem CID 126443842) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine
PubChem CID126443842
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine
SMILESCc1cc(C)cc(N2CCC(NC[C@H]3CCCNC3)CC2)c1
InChIInChI=1S/C19H31N3/c1-15-10-16(2)12-19(11-15)22-8-5-18(6-9-22)21-14-17-4-3-7-20-13-17/h10-12,17-18,20-21H,3-9,13-14H2,1-2H3/t17-/m0/s1
InChIKeyNBPCHNHFOCIWHT-KRWDZBQOSA-N
XLogP2.86
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
CID 126449596
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102
(4R)-1-cyclopentyl-4-[[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 95226513
1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119462684
3-methyl-N-[[(3R)-piperidin-3-yl]methyl]cyclobutan-1-amine
CID 130522929
1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine
CID 121498693
N-(piperidin-3-ylmethyl)pyrrolidin-2-amine
CID 105440865
3,3-dimethyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
CID 114544120
N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 63006333
N-(pyrrolidin-3-ylmethyl)cyclopropanamine;dihydrochloride
CID 139036091
N-[(4-methylcyclohexyl)methyl]piperidin-3-amine
CID 63243171
N-(piperidin-3-ylmethyl)oxan-3-amine
CID 80555107

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine (CID 126443842) is 1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine is Cc1cc(C)cc(N2CCC(NC[C@H]3CCCNC3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine?
The InChIKey is NBPCHNHFOCIWHT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N3/c1-15-10-16(2)12-19(11-15)22-8-5-18(6-9-22)21-14-17-4-3-7-20-13-17/h10-12,17-18,20-21H,3-9,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine?
1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine has a molecular weight of 301.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 126443842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).