1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride

C20H27ClN2 — CID 2845779

IUPAC1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride
SMILESCC(CCN1CCN(c2ccccc2)CC1)c1ccccc1.Cl
InChIInChI=1S/C20H26N2.ClH/c1-18(19-8-4-2-5-9-19)12-13-21-14-16-22(17-15-21)20-10-6-3-7-11-20;/h2-11,18H,12-17H2,1H3;1H
InChIKeyCTBSBQGAMZSMMB-UHFFFAOYSA-N
MW330.90 g/mol
LogP4.42
Rot. Bonds5

About 1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride

1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride (PubChem CID 2845779) has the molecular formula C20H27ClN2 and a molecular weight of 330.90 g/mol. Its IUPAC name is 1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride
PubChem CID2845779
Molecular FormulaC20H27ClN2
Molecular Weight330.90 g/mol
Exact Mass330.19
IUPAC Name1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride
SMILESCC(CCN1CCN(c2ccccc2)CC1)c1ccccc1.Cl
InChIInChI=1S/C20H26N2.ClH/c1-18(19-8-4-2-5-9-19)12-13-21-14-16-22(17-15-21)20-10-6-3-7-11-20;/h2-11,18H,12-17H2,1H3;1H
InChIKeyCTBSBQGAMZSMMB-UHFFFAOYSA-N
XLogP4.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.90
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride?
The IUPAC name of 1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride (CID 2845779) is 1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride.
What is the SMILES notation for 1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride?
The canonical SMILES for 1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride is CC(CCN1CCN(c2ccccc2)CC1)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride?
The InChIKey is CTBSBQGAMZSMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2.ClH/c1-18(19-8-4-2-5-9-19)12-13-21-14-16-22(17-15-21)20-10-6-3-7-11-20;/h2-11,18H,12-17H2,1H3;1H.
What are the key properties of 1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride?
1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride has a molecular weight of 330.90 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(3-phenylbutyl)piperazine;hydrochloride is sourced from PubChem (CID 2845779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).