1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine

C26H29ClN2O — CID 23220745

IUPAC1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine
SMILESClc1ccc(Oc2ccccc2)c(CN2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C26H29ClN2O/c27-24-13-14-26(30-25-11-5-2-6-12-25)23(20-24)21-29-18-16-28(17-19-29)15-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-14,20H,7,10,15-19,21H2
InChIKeyLORUFAVJNBSBFE-UHFFFAOYSA-N
MW420.98 g/mol
LogP5.88
Rot. Bonds8

About 1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine

1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine (PubChem CID 23220745) has the molecular formula C26H29ClN2O and a molecular weight of 420.98 g/mol. Its IUPAC name is 1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine
PubChem CID23220745
Molecular FormulaC26H29ClN2O
Molecular Weight420.98 g/mol
Exact Mass420.20
IUPAC Name1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine
SMILESClc1ccc(Oc2ccccc2)c(CN2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C26H29ClN2O/c27-24-13-14-26(30-25-11-5-2-6-12-25)23(20-24)21-29-18-16-28(17-19-29)15-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-14,20H,7,10,15-19,21H2
InChIKeyLORUFAVJNBSBFE-UHFFFAOYSA-N
XLogP5.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.98
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine
CID 10096015
oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 90483761
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 59382224
1-[3-[5-chloro-2-(2-phenylethoxy)phenyl]propyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 10623414
1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine
CID 10496628
3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43646650
1-[2-[(3-phenoxyphenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67898556
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
(2R)-2-amino-2-[1-[2-(5-chloro-2-phenoxyphenyl)ethyl]piperidin-4-yl]-1-[4-[(2-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanone
CID 177236812
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 60669791

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine (CID 23220745) is 1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine is Clc1ccc(Oc2ccccc2)c(CN2CCN(CCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine?
The InChIKey is LORUFAVJNBSBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O/c27-24-13-14-26(30-25-11-5-2-6-12-25)23(20-24)21-29-18-16-28(17-19-29)15-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-14,20H,7,10,15-19,21H2.
What are the key properties of 1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine?
1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine has a molecular weight of 420.98 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 23220745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).