1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride

C21H32ClNO2 — CID 3052092

IUPAC1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride
SMILESCl.c1ccc(C2(C3CCCCC3)OCC(N3CCCCC3)CO2)cc1
InChIInChI=1S/C21H31NO2.ClH/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-16-20(17-24-21)22-14-8-3-9-15-22;/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2;1H
InChIKeyCJQVXCXDHCBZOY-UHFFFAOYSA-N
MW365.95 g/mol
LogP4.74
Rot. Bonds3

About 1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride

1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride (PubChem CID 3052092) has the molecular formula C21H32ClNO2 and a molecular weight of 365.95 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride
PubChem CID3052092
Molecular FormulaC21H32ClNO2
Molecular Weight365.95 g/mol
Exact Mass365.21
IUPAC Name1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride
SMILESCl.c1ccc(C2(C3CCCCC3)OCC(N3CCCCC3)CO2)cc1
InChIInChI=1S/C21H31NO2.ClH/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-16-20(17-24-21)22-14-8-3-9-15-22;/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2;1H
InChIKeyCJQVXCXDHCBZOY-UHFFFAOYSA-N
XLogP4.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride
CID 157418968
1-benzyl-4-[[(2S,4R)-2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperazine
CID 127027491
3-butoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
CID 3079953
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
1-phenyl-2-oxabicyclo[4.1.0]heptane
CID 154332997
N-phenyl-4-piperidin-1-ylpiperidin-1-amine
CID 70140619
(3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 24845925
[1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol
CID 62020984
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
(1S,8S)-10,10-diphenyl-9-oxabicyclo[6.2.0]decane
CID 101105707
(2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one
CID 59885970
(3aR,7aS)-7a-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
CID 58954920

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride?
The IUPAC name of 1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride (CID 3052092) is 1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride.
What is the SMILES notation for 1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride?
The canonical SMILES for 1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride is Cl.c1ccc(C2(C3CCCCC3)OCC(N3CCCCC3)CO2)cc1.
What is the InChIKey of 1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride?
The InChIKey is CJQVXCXDHCBZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2.ClH/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-16-20(17-24-21)22-14-8-3-9-15-22;/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2;1H.
What are the key properties of 1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride?
1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride is sourced from PubChem (CID 3052092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).