(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine

C15H24N2 — CID 81349439

IUPAC(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCc1ccc([C@@H](C)NCC2CCCNC2)cc1
InChIInChI=1S/C15H24N2/c1-12-5-7-15(8-6-12)13(2)17-11-14-4-3-9-16-10-14/h5-8,13-14,16-17H,3-4,9-11H2,1-2H3/t13-,14?/m1/s1
InChIKeyUMWQIVWSVQUVCI-KWCCSABGSA-N
MW232.37 g/mol
LogP2.65
Rot. Bonds4

About (1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine

(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 81349439) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID81349439
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCc1ccc([C@@H](C)NCC2CCCNC2)cc1
InChIInChI=1S/C15H24N2/c1-12-5-7-15(8-6-12)13(2)17-11-14-4-3-9-16-10-14/h5-8,13-14,16-17H,3-4,9-11H2,1-2H3/t13-,14?/m1/s1
InChIKeyUMWQIVWSVQUVCI-KWCCSABGSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 80554145
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120
N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 71637837
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 167962451
1-(4-methylphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115720001
1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80553557
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 80555461

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine (CID 81349439) is (1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine is Cc1ccc([C@@H](C)NCC2CCCNC2)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is UMWQIVWSVQUVCI-KWCCSABGSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-5-7-15(8-6-12)13(2)17-11-14-4-3-9-16-10-14/h5-8,13-14,16-17H,3-4,9-11H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 81349439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).