(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine

C16H26N2 — CID 51683369

IUPAC(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCc1cccc(CN[C@@H](C)CN2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-14-7-6-8-16(11-14)12-17-15(2)13-18-9-4-3-5-10-18/h6-8,11,15,17H,3-5,9-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyGZTPONIQMJPSRD-HNNXBMFYSA-N
MW246.40 g/mol
LogP2.96
Rot. Bonds5

About (2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine

(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 51683369) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID51683369
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCc1cccc(CN[C@@H](C)CN2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-14-7-6-8-16(11-14)12-17-15(2)13-18-9-4-3-5-10-18/h6-8,11,15,17H,3-5,9-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyGZTPONIQMJPSRD-HNNXBMFYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 115526298
2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893417
N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 104851455
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067
2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111900325
N-[(3-bromo-4-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112548580
N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107972034
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine (CID 51683369) is (2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine is Cc1cccc(CN[C@@H](C)CN2CCCCC2)c1.
What is the InChIKey of (2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is GZTPONIQMJPSRD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-7-6-8-16(11-14)12-17-15(2)13-18-9-4-3-5-10-18/h6-8,11,15,17H,3-5,9-10,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 51683369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).