1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride

C18H30Cl2N2 — CID 66985098

IUPAC1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(CCCN2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H28N2.2ClH/c1-2-7-17(8-3-1)9-6-12-19-13-15-20(16-14-19)18-10-4-5-11-18;;/h1-3,7-8,18H,4-6,9-16H2;2*1H
InChIKeyCHNMCCQQUZSHTO-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.02
Rot. Bonds5

About 1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride

1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride (PubChem CID 66985098) has the molecular formula C18H30Cl2N2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
PubChem CID66985098
Molecular FormulaC18H30Cl2N2
Molecular Weight345.36 g/mol
Exact Mass344.18
IUPAC Name1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(CCCN2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H28N2.2ClH/c1-2-7-17(8-3-1)9-6-12-19-13-15-20(16-14-19)18-10-4-5-11-18;;/h1-3,7-8,18H,4-6,9-16H2;2*1H
InChIKeyCHNMCCQQUZSHTO-UHFFFAOYSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxalic acid;1-(4-phenylcyclohexyl)-4-(3-phenylpropyl)piperazine
CID 90483695
1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine
CID 51636134
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride?
The IUPAC name of 1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride (CID 66985098) is 1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride?
The canonical SMILES for 1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride is Cl.Cl.c1ccc(CCCN2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride?
The InChIKey is CHNMCCQQUZSHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2.2ClH/c1-2-7-17(8-3-1)9-6-12-19-13-15-20(16-14-19)18-10-4-5-11-18;;/h1-3,7-8,18H,4-6,9-16H2;2*1H.
What are the key properties of 1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride?
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride has a molecular weight of 345.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride is sourced from PubChem (CID 66985098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).