N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine

C24H26N2 — CID 137331501

IUPACN-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine
SMILESc1ccc2c(-c3ccc([C@@H]4C[C@H]4NC4CCNCC4)cc3)cccc2c1
InChIInChI=1S/C24H26N2/c1-2-6-21-17(4-1)5-3-7-22(21)18-8-10-19(11-9-18)23-16-24(23)26-20-12-14-25-15-13-20/h1-11,20,23-26H,12-16H2/t23-,24+/m0/s1
InChIKeyKZQNJCZEZCJTPM-BJKOFHAPSA-N
MW342.49 g/mol
LogP4.70
Rot. Bonds4

About N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine

N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine (PubChem CID 137331501) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine
PubChem CID137331501
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC NameN-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine
SMILESc1ccc2c(-c3ccc([C@@H]4C[C@H]4NC4CCNCC4)cc3)cccc2c1
InChIInChI=1S/C24H26N2/c1-2-6-21-17(4-1)5-3-7-22(21)18-8-10-19(11-9-18)23-16-24(23)26-20-12-14-25-15-13-20/h1-11,20,23-26H,12-16H2/t23-,24+/m0/s1
InChIKeyKZQNJCZEZCJTPM-BJKOFHAPSA-N
XLogP4.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.70
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-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine?
The IUPAC name of N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine (CID 137331501) is N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine.
What is the SMILES notation for N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine?
The canonical SMILES for N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine is c1ccc2c(-c3ccc([C@@H]4C[C@H]4NC4CCNCC4)cc3)cccc2c1.
What is the InChIKey of N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine?
The InChIKey is KZQNJCZEZCJTPM-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H26N2/c1-2-6-21-17(4-1)5-3-7-22(21)18-8-10-19(11-9-18)23-16-24(23)26-20-12-14-25-15-13-20/h1-11,20,23-26H,12-16H2/t23-,24+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine?
N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-naphthalen-1-ylphenyl)cyclopropyl]piperidin-4-amine is sourced from PubChem (CID 137331501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).