1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine

C36H54Cl2N2O — CID 154388269

IUPAC1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine
SMILESCCCC(CC(C)c1ccc(N2CCCCC2)c(Cl)c1)OC(CCC)CC(C)c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C36H54Cl2N2O/c1-5-13-31(23-27(3)29-15-17-35(33(37)25-29)39-19-9-7-10-20-39)41-32(14-6-2)24-28(4)30-16-18-36(34(38)26-30)40-21-11-8-12-22-40/h15-18,25-28,31-32H,5-14,19-24H2,1-4H3
InChIKeyWCJWGXDFBXRJFT-UHFFFAOYSA-N
MW601.75 g/mol
LogP11.02
Rot. Bonds14

About 1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine

1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine (PubChem CID 154388269) has the molecular formula C36H54Cl2N2O and a molecular weight of 601.75 g/mol. Its IUPAC name is 1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine.

Molecular Properties

Compound Name1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine
PubChem CID154388269
Molecular FormulaC36H54Cl2N2O
Molecular Weight601.75 g/mol
Exact Mass600.36
IUPAC Name1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine
SMILESCCCC(CC(C)c1ccc(N2CCCCC2)c(Cl)c1)OC(CCC)CC(C)c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C36H54Cl2N2O/c1-5-13-31(23-27(3)29-15-17-35(33(37)25-29)39-19-9-7-10-20-39)41-32(14-6-2)24-28(4)30-16-18-36(34(38)26-30)40-21-11-8-12-22-40/h15-18,25-28,31-32H,5-14,19-24H2,1-4H3
InChIKeyWCJWGXDFBXRJFT-UHFFFAOYSA-N
XLogP11.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 62908479
N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide
CID 57015700
(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
CID 78944491
2-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]benzoic acid
CID 154251085
1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one
CID 154126949
2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol
CID 154114930
(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 78934855
1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol
CID 62910229
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-pyrrolidin-1-ylphenyl)acetamide
CID 19629925
(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
CID 63370938
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine?
The IUPAC name of 1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine (CID 154388269) is 1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine.
What is the SMILES notation for 1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine?
The canonical SMILES for 1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine is CCCC(CC(C)c1ccc(N2CCCCC2)c(Cl)c1)OC(CCC)CC(C)c1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine?
The InChIKey is WCJWGXDFBXRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54Cl2N2O/c1-5-13-31(23-27(3)29-15-17-35(33(37)25-29)39-19-9-7-10-20-39)41-32(14-6-2)24-28(4)30-16-18-36(34(38)26-30)40-21-11-8-12-22-40/h15-18,25-28,31-32H,5-14,19-24H2,1-4H3.
What are the key properties of 1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine?
1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine has a molecular weight of 601.75 g/mol, XLogP of 11.02, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine is sourced from PubChem (CID 154388269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).