(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride

C12H20ClN3 — CID 71637625

IUPAC(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
SMILESCC(N[C@@H]1CCCNC1)c1ccccn1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-10(12-6-2-3-8-14-12)15-11-5-4-7-13-9-11;/h2-3,6,8,10-11,13,15H,4-5,7,9H2,1H3;1H/t10?,11-;/m1./s1
InChIKeyQSVWNFFWNOSLDA-PSDUUTOMSA-N
MW241.77 g/mol
LogP1.91
Rot. Bonds3

About (3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride

(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride (PubChem CID 71637625) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is (3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
PubChem CID71637625
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
SMILESCC(N[C@@H]1CCCNC1)c1ccccn1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-10(12-6-2-3-8-14-12)15-11-5-4-7-13-9-11;/h2-3,6,8,10-11,13,15H,4-5,7,9H2,1H3;1H/t10?,11-;/m1./s1
InChIKeyQSVWNFFWNOSLDA-PSDUUTOMSA-N
XLogP1.91
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride (CID 71637625) is (3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride is CC(N[C@@H]1CCCNC1)c1ccccn1.Cl.
What is the InChIKey of (3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride?
The InChIKey is QSVWNFFWNOSLDA-PSDUUTOMSA-N. The full InChI is InChI=1S/C12H19N3.ClH/c1-10(12-6-2-3-8-14-12)15-11-5-4-7-13-9-11;/h2-3,6,8,10-11,13,15H,4-5,7,9H2,1H3;1H/t10?,11-;/m1./s1.
What are the key properties of (3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride?
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride has a molecular weight of 241.77 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 71637625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).