(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine

C11H17N3 — CID 39221497

IUPAC(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C11H17N3/c12-10-4-3-7-14(8-10)9-11-5-1-2-6-13-11/h1-2,5-6,10H,3-4,7-9,12H2/t10-/m0/s1
InChIKeyPNWFVUJFAQEPSE-JTQLQIEISA-N
MW191.28 g/mol
LogP1.00
Rot. Bonds2

About (3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine

(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine (PubChem CID 39221497) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
PubChem CID39221497
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C11H17N3/c12-10-4-3-7-14(8-10)9-11-5-1-2-6-13-11/h1-2,5-6,10H,3-4,7-9,12H2/t10-/m0/s1
InChIKeyPNWFVUJFAQEPSE-JTQLQIEISA-N
XLogP1.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
CID 77041469
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552735
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
CID 59694740
CID 59694740
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
1-(pyridin-2-ylmethylsulfonyl)piperidin-3-amine
CID 71644242

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine (CID 39221497) is (3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine is N[C@H]1CCCN(Cc2ccccn2)C1.
What is the InChIKey of (3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine?
The InChIKey is PNWFVUJFAQEPSE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3/c12-10-4-3-7-14(8-10)9-11-5-1-2-6-13-11/h1-2,5-6,10H,3-4,7-9,12H2/t10-/m0/s1.
What are the key properties of (3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine?
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 39221497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).