N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine

C16H26N2 — CID 79548722

IUPACN-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCc1ccc(CNC(C)CC2CCCCN2)cc1
InChIInChI=1S/C16H26N2/c1-13-6-8-15(9-7-13)12-18-14(2)11-16-5-3-4-10-17-16/h6-9,14,16-18H,3-5,10-12H2,1-2H3
InChIKeyQMZNPEBQFGCJRR-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.01
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine

N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 79548722) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
PubChem CID79548722
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCc1ccc(CNC(C)CC2CCCCN2)cc1
InChIInChI=1S/C16H26N2/c1-13-6-8-15(9-7-13)12-18-14(2)11-16-5-3-4-10-17-16/h6-9,14,16-18H,3-5,10-12H2,1-2H3
InChIKeyQMZNPEBQFGCJRR-UHFFFAOYSA-N
XLogP3.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79538390
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
CID 79560021
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 79548872
N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79537589
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 79560149

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine (CID 79548722) is N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine is Cc1ccc(CNC(C)CC2CCCCN2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is QMZNPEBQFGCJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-8-15(9-7-13)12-18-14(2)11-16-5-3-4-10-17-16/h6-9,14,16-18H,3-5,10-12H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine?
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79548722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).