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

C13H20N2 — CID 24904607

IUPAC(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
SMILESCc1cccc(CN2CCC[C@H](N)C2)c1
InChIInChI=1S/C13H20N2/c1-11-4-2-5-12(8-11)9-15-7-3-6-13(14)10-15/h2,4-5,8,13H,3,6-7,9-10,14H2,1H3/t13-/m0/s1
InChIKeyFCYOUKBTZOYXRZ-ZDUSSCGKSA-N
MW204.32 g/mol
LogP1.92
Rot. Bonds2

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

(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine (PubChem CID 24904607) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
PubChem CID24904607
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
SMILESCc1cccc(CN2CCC[C@H](N)C2)c1
InChIInChI=1S/C13H20N2/c1-11-4-2-5-12(8-11)9-15-7-3-6-13(14)10-15/h2,4-5,8,13H,3,6-7,9-10,14H2,1H3/t13-/m0/s1
InChIKeyFCYOUKBTZOYXRZ-ZDUSSCGKSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910098
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83999105
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
CID 99717486
4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
CID 172905640
2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982652
(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120845998
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine (CID 24904607) is (3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine is Cc1cccc(CN2CCC[C@H](N)C2)c1.
What is the InChIKey of (3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine?
The InChIKey is FCYOUKBTZOYXRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-2-5-12(8-11)9-15-7-3-6-13(14)10-15/h2,4-5,8,13H,3,6-7,9-10,14H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine?
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 24904607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).