N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine

C15H22ClN3 — CID 155552772

IUPACN-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine
SMILESClc1ccc(CNC[C@H]2C[C@H]2N2CCNCC2)cc1
InChIInChI=1S/C15H22ClN3/c16-14-3-1-12(2-4-14)10-18-11-13-9-15(13)19-7-5-17-6-8-19/h1-4,13,15,17-18H,5-11H2/t13-,15-/m1/s1
InChIKeyFNHCQDWUOSGCNJ-UKRRQHHQSA-N
MW279.81 g/mol
LogP1.72
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine

N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine (PubChem CID 155552772) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine
PubChem CID155552772
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine
SMILESClc1ccc(CNC[C@H]2C[C@H]2N2CCNCC2)cc1
InChIInChI=1S/C15H22ClN3/c16-14-3-1-12(2-4-14)10-18-11-13-9-15(13)19-7-5-17-6-8-19/h1-4,13,15,17-18H,5-11H2/t13-,15-/m1/s1
InChIKeyFNHCQDWUOSGCNJ-UKRRQHHQSA-N
XLogP1.72
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine (CID 155552772) is N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine is Clc1ccc(CNC[C@H]2C[C@H]2N2CCNCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine?
The InChIKey is FNHCQDWUOSGCNJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-14-3-1-12(2-4-14)10-18-11-13-9-15(13)19-7-5-17-6-8-19/h1-4,13,15,17-18H,5-11H2/t13-,15-/m1/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine?
N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine has a molecular weight of 279.81 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-piperazin-1-ylcyclopropyl]methanamine is sourced from PubChem (CID 155552772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).