(1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride

C15H25Cl2N3 — CID 159048584

IUPAC(1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.c1ccc(C2C[C@@H]2NCCN2CCNCC2)cc1
InChIInChI=1S/C15H23N3.2ClH/c1-2-4-13(5-3-1)14-12-15(14)17-8-11-18-9-6-16-7-10-18;;/h1-5,14-17H,6-12H2;2*1H/t14?,15-;;/m0../s1
InChIKeySPVJORJYOZBMHQ-VGYAGVDUSA-N
MW318.29 g/mol
LogP1.88
Rot. Bonds5

About (1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride

(1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride (PubChem CID 159048584) has the molecular formula C15H25Cl2N3 and a molecular weight of 318.29 g/mol. Its IUPAC name is (1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name(1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride
PubChem CID159048584
Molecular FormulaC15H25Cl2N3
Molecular Weight318.29 g/mol
Exact Mass317.14
IUPAC Name(1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.c1ccc(C2C[C@@H]2NCCN2CCNCC2)cc1
InChIInChI=1S/C15H23N3.2ClH/c1-2-4-13(5-3-1)14-12-15(14)17-8-11-18-9-6-16-7-10-18;;/h1-5,14-17H,6-12H2;2*1H/t14?,15-;;/m0../s1
InChIKeySPVJORJYOZBMHQ-VGYAGVDUSA-N
XLogP1.88
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 67065292
(3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
CID 162322096
trans-(1R,2S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;dihydrochloride
CID 89123889
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
N-benzyl-2-piperazin-1-ylethanamine
CID 14900561
N-(2-morpholin-4-ylethyl)-2-phenylcyclohexan-1-amine
CID 43764210
N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine
CID 78097230
N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 175197217
1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride
CID 175654335
N-benzyl-2-(1,4-diazepan-1-yl)ethanamine
CID 62833127
5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
CID 67115781
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644

Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride?
The IUPAC name of (1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride (CID 159048584) is (1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for (1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride?
The canonical SMILES for (1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride is Cl.Cl.c1ccc(C2C[C@@H]2NCCN2CCNCC2)cc1.
What is the InChIKey of (1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride?
The InChIKey is SPVJORJYOZBMHQ-VGYAGVDUSA-N. The full InChI is InChI=1S/C15H23N3.2ClH/c1-2-4-13(5-3-1)14-12-15(14)17-8-11-18-9-6-16-7-10-18;;/h1-5,14-17H,6-12H2;2*1H/t14?,15-;;/m0../s1.
What are the key properties of (1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride?
(1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride has a molecular weight of 318.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 159048584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).