(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine

C11H17N3 — CID 53256527

IUPAC(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
SMILESc1cncc(CN[C@H]2CCCNC2)c1
InChIInChI=1S/C11H17N3/c1-3-10(7-12-5-1)8-14-11-4-2-6-13-9-11/h1,3,5,7,11,13-14H,2,4,6,8-9H2/t11-/m0/s1
InChIKeyJPQNGSMDQKEWBS-NSHDSACASA-N
MW191.28 g/mol
LogP0.92
Rot. Bonds3

About (3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine

(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine (PubChem CID 53256527) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
PubChem CID53256527
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
SMILESc1cncc(CN[C@H]2CCCNC2)c1
InChIInChI=1S/C11H17N3/c1-3-10(7-12-5-1)8-14-11-4-2-6-13-9-11/h1,3,5,7,11,13-14H,2,4,6,8-9H2/t11-/m0/s1
InChIKeyJPQNGSMDQKEWBS-NSHDSACASA-N
XLogP0.92
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
CID 71636466
(3R)-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 71636732
N-(pyridin-3-ylmethyl)pyrrolidin-2-amine
CID 90939130
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71636461
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine?
The IUPAC name of (3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine (CID 53256527) is (3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine is c1cncc(CN[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine?
The InChIKey is JPQNGSMDQKEWBS-NSHDSACASA-N. The full InChI is InChI=1S/C11H17N3/c1-3-10(7-12-5-1)8-14-11-4-2-6-13-9-11/h1,3,5,7,11,13-14H,2,4,6,8-9H2/t11-/m0/s1.
What are the key properties of (3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine?
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 53256527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).