N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride

C18H31ClN2 — CID 119932143

IUPACN,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride
SMILESCc1ccc(C(C)(C)CN(C)CC2CCNCC2)cc1.Cl
InChIInChI=1S/C18H30N2.ClH/c1-15-5-7-17(8-6-15)18(2,3)14-20(4)13-16-9-11-19-12-10-16;/h5-8,16,19H,9-14H2,1-4H3;1H
InChIKeyJSHFALCNQPACMJ-UHFFFAOYSA-N
MW310.91 g/mol
LogP3.63
Rot. Bonds5

About N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride

N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride (PubChem CID 119932143) has the molecular formula C18H31ClN2 and a molecular weight of 310.91 g/mol. Its IUPAC name is N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride
PubChem CID119932143
Molecular FormulaC18H31ClN2
Molecular Weight310.91 g/mol
Exact Mass310.22
IUPAC NameN,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride
SMILESCc1ccc(C(C)(C)CN(C)CC2CCNCC2)cc1.Cl
InChIInChI=1S/C18H30N2.ClH/c1-15-5-7-17(8-6-15)18(2,3)14-20(4)13-16-9-11-19-12-10-16;/h5-8,16,19H,9-14H2,1-4H3;1H
InChIKeyJSHFALCNQPACMJ-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.91
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide
CID 119805938
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707515
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005
4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine
CID 84724889
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
N-[(5-ethylthiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708057
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 71642488
1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-piperidin-4-ylpiperidine
CID 167693962

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride?
The IUPAC name of N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride (CID 119932143) is N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride?
The canonical SMILES for N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride is Cc1ccc(C(C)(C)CN(C)CC2CCNCC2)cc1.Cl.
What is the InChIKey of N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride?
The InChIKey is JSHFALCNQPACMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2.ClH/c1-15-5-7-17(8-6-15)18(2,3)14-20(4)13-16-9-11-19-12-10-16;/h5-8,16,19H,9-14H2,1-4H3;1H.
What are the key properties of N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride?
N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride has a molecular weight of 310.91 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 119932143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).