N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine

C17H28N2 — CID 18804081

IUPACN-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCc1ccc(CNCC(C)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-14-4-6-17(7-5-14)13-18-12-16(3)19-10-8-15(2)9-11-19/h4-7,15-16,18H,8-13H2,1-3H3
InChIKeyWANQHRRBIXMJNX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine

N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 18804081) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID18804081
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCc1ccc(CNCC(C)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-14-4-6-17(7-5-14)13-18-12-16(3)19-10-8-15(2)9-11-19/h4-7,15-16,18H,8-13H2,1-3H3
InChIKeyWANQHRRBIXMJNX-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine
CID 18804080
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 135042570
3-[(4-methylphenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014305
1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline
CID 18804074
N-[2-(4-methylphenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255755
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
3-(4-methylazepan-1-yl)-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142025150

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine (CID 18804081) is N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine is Cc1ccc(CNCC(C)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is WANQHRRBIXMJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-4-6-17(7-5-14)13-18-12-16(3)19-10-8-15(2)9-11-19/h4-7,15-16,18H,8-13H2,1-3H3.
What are the key properties of N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine?
N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 18804081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).