N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

C14H20N2 — CID 71522234

IUPACN-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESc1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1
InChIInChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1
InChIKeyBASFYRLYJAZPPL-UONOGXRCSA-N
MW216.33 g/mol
LogP1.88
Rot. Bonds3

About N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (PubChem CID 71522234) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
PubChem CID71522234
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESc1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1
InChIInChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1
InChIKeyBASFYRLYJAZPPL-UONOGXRCSA-N
XLogP1.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (CID 71522234) is N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.
What is the SMILES notation for N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The canonical SMILES for N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1.
What is the InChIKey of N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The InChIKey is BASFYRLYJAZPPL-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine has a molecular weight of 216.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is sourced from PubChem (CID 71522234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).