1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride

C15H31ClNO+ — CID 21119340

IUPAC1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride
SMILESCCCC[N+]1(O)CCC(C2CCCCC2)CC1.Cl
InChIInChI=1S/C15H30NO.ClH/c1-2-3-11-16(17)12-9-15(10-13-16)14-7-5-4-6-8-14;/h14-15,17H,2-13H2,1H3;1H/q+1;
InChIKeyFDHRWZMPPMRJIB-UHFFFAOYSA-N
MW276.87 g/mol
LogP4.40
Rot. Bonds4

About 1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride

1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride (PubChem CID 21119340) has the molecular formula C15H31ClNO+ and a molecular weight of 276.87 g/mol. Its IUPAC name is 1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride.

Molecular Properties

Compound Name1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride
PubChem CID21119340
Molecular FormulaC15H31ClNO+
Molecular Weight276.87 g/mol
Exact Mass276.21
IUPAC Name1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride
SMILESCCCC[N+]1(O)CCC(C2CCCCC2)CC1.Cl
InChIInChI=1S/C15H30NO.ClH/c1-2-3-11-16(17)12-9-15(10-13-16)14-7-5-4-6-8-14;/h14-15,17H,2-13H2,1H3;1H/q+1;
InChIKeyFDHRWZMPPMRJIB-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.87
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
(3aS,7aR)-2-decyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium
CID 98573317
1-butyl-1-cyclohexylpyrrolidin-1-ium iodide
CID 22995118
(3aS,7aS)-2-hexadecyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium
CID 98573301
(3aR,7aS)-2-hexadecyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium
CID 98573300
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
(4aR,8aR)-1,1,4,4-tetrabutyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1,4-diium dichloride
CID 131883004
azane;cyclohexylcyclohexane;dodecanoic acid
CID 173305260
1-butyl-1-azoniabicyclo[2.2.2]octan-3-ol iodide
CID 163329900
1-butyl-1-azoniabicyclo[3.1.0]hexane
CID 134838404
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide
CID 22995148

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride?
The IUPAC name of 1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride (CID 21119340) is 1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride.
What is the SMILES notation for 1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride?
The canonical SMILES for 1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride is CCCC[N+]1(O)CCC(C2CCCCC2)CC1.Cl.
What is the InChIKey of 1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride?
The InChIKey is FDHRWZMPPMRJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NO.ClH/c1-2-3-11-16(17)12-9-15(10-13-16)14-7-5-4-6-8-14;/h14-15,17H,2-13H2,1H3;1H/q+1;.
What are the key properties of 1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride?
1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride has a molecular weight of 276.87 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride is sourced from PubChem (CID 21119340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).