N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine

C13H19N3 — CID 71522236

IUPACN-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine
SMILESc1cncc([C@@H]2C[C@H]2NC2CCNCC2)c1
InChIInChI=1S/C13H19N3/c1-2-10(9-15-5-1)12-8-13(12)16-11-3-6-14-7-4-11/h1-2,5,9,11-14,16H,3-4,6-8H2/t12-,13+/m0/s1
InChIKeySOBRGCVHDJATAI-QWHCGFSZSA-N
MW217.32 g/mol
LogP1.28
Rot. Bonds3

About N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine

N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine (PubChem CID 71522236) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine
PubChem CID71522236
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine
SMILESc1cncc([C@@H]2C[C@H]2NC2CCNCC2)c1
InChIInChI=1S/C13H19N3/c1-2-10(9-15-5-1)12-8-13(12)16-11-3-6-14-7-4-11/h1-2,5,9,11-14,16H,3-4,6-8H2/t12-,13+/m0/s1
InChIKeySOBRGCVHDJATAI-QWHCGFSZSA-N
XLogP1.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine?
The IUPAC name of N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine (CID 71522236) is N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine.
What is the SMILES notation for N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine?
The canonical SMILES for N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine is c1cncc([C@@H]2C[C@H]2NC2CCNCC2)c1.
What is the InChIKey of N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine?
The InChIKey is SOBRGCVHDJATAI-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-10(9-15-5-1)12-8-13(12)16-11-3-6-14-7-4-11/h1-2,5,9,11-14,16H,3-4,6-8H2/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine?
N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine has a molecular weight of 217.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine is sourced from PubChem (CID 71522236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).