1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine

C32H33ClN2OS — CID 142599229

IUPAC1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine
SMILESClc1ccc(-c2ccc(CN3CCN(Sc4ccc5cc(OC6CCCC6)ccc5c4)CC3)cc2)cc1
InChIInChI=1S/C32H33ClN2OS/c33-29-13-9-26(10-14-29)25-7-5-24(6-8-25)23-34-17-19-35(20-18-34)37-32-16-12-27-21-31(15-11-28(27)22-32)36-30-3-1-2-4-30/h5-16,21-22,30H,1-4,17-20,23H2
InChIKeyZJTTYHBDOXJCNH-UHFFFAOYSA-N
MW529.15 g/mol
LogP8.31
Rot. Bonds7

About 1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine

1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine (PubChem CID 142599229) has the molecular formula C32H33ClN2OS and a molecular weight of 529.15 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine
PubChem CID142599229
Molecular FormulaC32H33ClN2OS
Molecular Weight529.15 g/mol
Exact Mass528.20
IUPAC Name1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine
SMILESClc1ccc(-c2ccc(CN3CCN(Sc4ccc5cc(OC6CCCC6)ccc5c4)CC3)cc2)cc1
InChIInChI=1S/C32H33ClN2OS/c33-29-13-9-26(10-14-29)25-7-5-24(6-8-25)23-34-17-19-35(20-18-34)37-32-16-12-27-21-31(15-11-28(27)22-32)36-30-3-1-2-4-30/h5-16,21-22,30H,1-4,17-20,23H2
InChIKeyZJTTYHBDOXJCNH-UHFFFAOYSA-N
XLogP8.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.15
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
CID 174434003
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-(6-cyclopentyloxynaphthalen-2-yl)sulfonylpiperazin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 138634843
tert-butyl N-[1-[(2S)-4-[[4-(4-chlorophenyl)phenyl]methyl]-1-(6-cyclopentyloxynaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]piperidin-4-yl]carbamate
CID 138665234
5-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxy-1H-indazole;hydrochloride
CID 162336125
1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde
CID 142599058
2-cyclopentyloxy-6-hydroxysulfanylnaphthalene
CID 135175413
3-[4-(4-chlorophenyl)phenyl]-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfanylamino]-3,3-difluoro-1-piperazin-1-ylpropan-1-one
CID 142387623
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
1-[[6-[4-(methoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine
CID 141348697
1-[(4-cyclopentyloxyphenyl)methyl]-4-methylsulfonyl-1,4-diazepane
CID 91773142
1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine
CID 126757457
3-[4-(4-chlorophenyl)phenyl]-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfanylamino]-3,3-difluoropropanal;3-fluoro-1-methylpiperidine
CID 142387507

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine?
The IUPAC name of 1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine (CID 142599229) is 1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine?
The canonical SMILES for 1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine is Clc1ccc(-c2ccc(CN3CCN(Sc4ccc5cc(OC6CCCC6)ccc5c4)CC3)cc2)cc1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine?
The InChIKey is ZJTTYHBDOXJCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN2OS/c33-29-13-9-26(10-14-29)25-7-5-24(6-8-25)23-34-17-19-35(20-18-34)37-32-16-12-27-21-31(15-11-28(27)22-32)36-30-3-1-2-4-30/h5-16,21-22,30H,1-4,17-20,23H2.
What are the key properties of 1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine?
1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine has a molecular weight of 529.15 g/mol, XLogP of 8.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine is sourced from PubChem (CID 142599229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).