1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride

C21H32ClNO2 — CID 3050028

IUPAC1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride
SMILESCl.c1ccc(C2(C3CCCCC3)OCC(CN3CCCCC3)O2)cc1
InChIInChI=1S/C21H31NO2.ClH/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-17-20(24-21)16-22-14-8-3-9-15-22;/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2;1H
InChIKeyJPAYUPGFDBXVQY-UHFFFAOYSA-N
MW365.95 g/mol
LogP4.74
Rot. Bonds4

About 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride

1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride (PubChem CID 3050028) 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-dioxolan-4-yl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride
PubChem CID3050028
Molecular FormulaC21H32ClNO2
Molecular Weight365.95 g/mol
Exact Mass365.21
IUPAC Name1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride
SMILESCl.c1ccc(C2(C3CCCCC3)OCC(CN3CCCCC3)O2)cc1
InChIInChI=1S/C21H31NO2.ClH/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-17-20(24-21)16-22-14-8-3-9-15-22;/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2;1H
InChIKeyJPAYUPGFDBXVQY-UHFFFAOYSA-N
XLogP4.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride?
The IUPAC name of 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride (CID 3050028) is 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride?
The canonical SMILES for 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride is Cl.c1ccc(C2(C3CCCCC3)OCC(CN3CCCCC3)O2)cc1.
What is the InChIKey of 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride?
The InChIKey is JPAYUPGFDBXVQY-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)23-17-20(24-21)16-22-14-8-3-9-15-22;/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-dioxolan-4-yl)methyl]piperidine;hydrochloride?
1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 4.74, 4 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-dioxolan-4-yl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 3050028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).