1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride

C19H30ClNO — CID 45262148

IUPAC1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride
SMILESCl.c1ccc(CN2CCC(COC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H29NO.ClH/c1-3-7-17(8-4-1)15-20-13-11-18(12-14-20)16-21-19-9-5-2-6-10-19;/h1,3-4,7-8,18-19H,2,5-6,9-16H2;1H
InChIKeyLLYQJUQOPSOEQE-UHFFFAOYSA-N
MW323.91 g/mol
LogP4.67
Rot. Bonds5

About 1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride

1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride (PubChem CID 45262148) has the molecular formula C19H30ClNO and a molecular weight of 323.91 g/mol. Its IUPAC name is 1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride
PubChem CID45262148
Molecular FormulaC19H30ClNO
Molecular Weight323.91 g/mol
Exact Mass323.20
IUPAC Name1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride
SMILESCl.c1ccc(CN2CCC(COC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H29NO.ClH/c1-3-7-17(8-4-1)15-20-13-11-18(12-14-20)16-21-19-9-5-2-6-10-19;/h1,3-4,7-8,18-19H,2,5-6,9-16H2;1H
InChIKeyLLYQJUQOPSOEQE-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.91
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride?
The IUPAC name of 1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride (CID 45262148) is 1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride?
The canonical SMILES for 1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride is Cl.c1ccc(CN2CCC(COC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride?
The InChIKey is LLYQJUQOPSOEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO.ClH/c1-3-7-17(8-4-1)15-20-13-11-18(12-14-20)16-21-19-9-5-2-6-10-19;/h1,3-4,7-8,18-19H,2,5-6,9-16H2;1H.
What are the key properties of 1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride?
1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride has a molecular weight of 323.91 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride is sourced from PubChem (CID 45262148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).