N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride

C17H29ClN2 — CID 120858044

IUPACN-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride
SMILESCc1ccccc1CC(C)N(C)CC1CCCNC1.Cl
InChIInChI=1S/C17H28N2.ClH/c1-14-7-4-5-9-17(14)11-15(2)19(3)13-16-8-6-10-18-12-16;/h4-5,7,9,15-16,18H,6,8,10-13H2,1-3H3;1H
InChIKeyWEVVHXJMOJSPMD-UHFFFAOYSA-N
MW296.89 g/mol
LogP3.28
Rot. Bonds5

About N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride

N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride (PubChem CID 120858044) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride
PubChem CID120858044
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC NameN-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride
SMILESCc1ccccc1CC(C)N(C)CC1CCCNC1.Cl
InChIInChI=1S/C17H28N2.ClH/c1-14-7-4-5-9-17(14)11-15(2)19(3)13-16-8-6-10-18-12-16;/h4-5,7,9,15-16,18H,6,8,10-13H2,1-3H3;1H
InChIKeyWEVVHXJMOJSPMD-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
1-methoxy-N-methyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 61452791
1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 120849617
1-(2-fluorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106623894

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride?
The IUPAC name of N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride (CID 120858044) is N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride is Cc1ccccc1CC(C)N(C)CC1CCCNC1.Cl.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride?
The InChIKey is WEVVHXJMOJSPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.ClH/c1-14-7-4-5-9-17(14)11-15(2)19(3)13-16-8-6-10-18-12-16;/h4-5,7,9,15-16,18H,6,8,10-13H2,1-3H3;1H.
What are the key properties of N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride?
N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride has a molecular weight of 296.89 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 120858044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).