3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine

C13H21N3 — CID 10176815

IUPAC3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine
SMILESNCCCN1CCC(c2ccccn2)CC1
InChIInChI=1S/C13H21N3/c14-7-3-9-16-10-5-12(6-11-16)13-4-1-2-8-15-13/h1-2,4,8,12H,3,5-7,9-11,14H2
InChIKeyWYJZKSPZJQCMII-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.61
Rot. Bonds4

About 3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine

3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine (PubChem CID 10176815) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine
PubChem CID10176815
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine
SMILESNCCCN1CCC(c2ccccn2)CC1
InChIInChI=1S/C13H21N3/c14-7-3-9-16-10-5-12(6-11-16)13-4-1-2-8-15-13/h1-2,4,8,12H,3,5-7,9-11,14H2
InChIKeyWYJZKSPZJQCMII-UHFFFAOYSA-N
XLogP1.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine (CID 10176815) is 3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine is NCCCN1CCC(c2ccccn2)CC1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine?
The InChIKey is WYJZKSPZJQCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-7-3-9-16-10-5-12(6-11-16)13-4-1-2-8-15-13/h1-2,4,8,12H,3,5-7,9-11,14H2.
What are the key properties of 3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine?
3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 10176815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).