1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine

C18H25Cl2N — CID 53323761

IUPAC1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine
SMILESClc1ccc(C2(CN3CCCCC3)CCCCC2)cc1Cl
InChIInChI=1S/C18H25Cl2N/c19-16-8-7-15(13-17(16)20)18(9-3-1-4-10-18)14-21-11-5-2-6-12-21/h7-8,13H,1-6,9-12,14H2
InChIKeyQQKNLGCYRCQFQP-UHFFFAOYSA-N
MW326.31 g/mol
LogP5.68
Rot. Bonds3

About 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine

1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine (PubChem CID 53323761) has the molecular formula C18H25Cl2N and a molecular weight of 326.31 g/mol. Its IUPAC name is 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine
PubChem CID53323761
Molecular FormulaC18H25Cl2N
Molecular Weight326.31 g/mol
Exact Mass325.14
IUPAC Name1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine
SMILESClc1ccc(C2(CN3CCCCC3)CCCCC2)cc1Cl
InChIInChI=1S/C18H25Cl2N/c19-16-8-7-15(13-17(16)20)18(9-3-1-4-10-18)14-21-11-5-2-6-12-21/h7-8,13H,1-6,9-12,14H2
InChIKeyQQKNLGCYRCQFQP-UHFFFAOYSA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.31
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine?
The IUPAC name of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine (CID 53323761) is 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine.
What is the SMILES notation for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine?
The canonical SMILES for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine is Clc1ccc(C2(CN3CCCCC3)CCCCC2)cc1Cl.
What is the InChIKey of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine?
The InChIKey is QQKNLGCYRCQFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N/c19-16-8-7-15(13-17(16)20)18(9-3-1-4-10-18)14-21-11-5-2-6-12-21/h7-8,13H,1-6,9-12,14H2.
What are the key properties of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine?
1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine has a molecular weight of 326.31 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]piperidine is sourced from PubChem (CID 53323761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).