2-(3-chlorophenyl)-2-propan-2-ylpiperidine

C14H20ClN — CID 115058678

IUPAC2-(3-chlorophenyl)-2-propan-2-ylpiperidine
SMILESCC(C)C1(c2cccc(Cl)c2)CCCCN1
InChIInChI=1S/C14H20ClN/c1-11(2)14(8-3-4-9-16-14)12-6-5-7-13(15)10-12/h5-7,10-11,16H,3-4,8-9H2,1-2H3
InChIKeyOMCXJABKFKCMEO-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.96
Rot. Bonds2

About 2-(3-chlorophenyl)-2-propan-2-ylpiperidine

2-(3-chlorophenyl)-2-propan-2-ylpiperidine (PubChem CID 115058678) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-propan-2-ylpiperidine
PubChem CID115058678
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-(3-chlorophenyl)-2-propan-2-ylpiperidine
SMILESCC(C)C1(c2cccc(Cl)c2)CCCCN1
InChIInChI=1S/C14H20ClN/c1-11(2)14(8-3-4-9-16-14)12-6-5-7-13(15)10-12/h5-7,10-11,16H,3-4,8-9H2,1-2H3
InChIKeyOMCXJABKFKCMEO-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-2-propan-2-ylazepane
CID 115059411
2-(3-cyclobutylphenyl)-2-propan-2-ylazepane
CID 114603856
2-(3-cyclopropyloxyphenyl)-2-propan-2-ylazepane
CID 114521875
2-propan-2-yl-2-(4-propan-2-ylphenyl)azepane
CID 79116630
2-(3-chlorophenyl)-2-ethylpiperidine
CID 115058675
4-(2-propan-2-ylpiperidin-2-yl)phenol
CID 115058712
3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine
CID 83891535
2-(3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 66465151
2-(2,6-difluorophenyl)-2-propan-2-ylazepane
CID 79118040
4-(2-propan-2-ylpyrrolidin-2-yl)phenol
CID 115058626
2-(3,4-dimethoxyphenyl)-2-propan-2-ylpyrrolidine
CID 66467199
2-propan-2-yl-2-thiophen-2-ylpiperidine
CID 117271337

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-propan-2-ylpiperidine?
The IUPAC name of 2-(3-chlorophenyl)-2-propan-2-ylpiperidine (CID 115058678) is 2-(3-chlorophenyl)-2-propan-2-ylpiperidine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-propan-2-ylpiperidine?
The canonical SMILES for 2-(3-chlorophenyl)-2-propan-2-ylpiperidine is CC(C)C1(c2cccc(Cl)c2)CCCCN1.
What is the InChIKey of 2-(3-chlorophenyl)-2-propan-2-ylpiperidine?
The InChIKey is OMCXJABKFKCMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11(2)14(8-3-4-9-16-14)12-6-5-7-13(15)10-12/h5-7,10-11,16H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2-propan-2-ylpiperidine?
2-(3-chlorophenyl)-2-propan-2-ylpiperidine has a molecular weight of 237.77 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-propan-2-ylpiperidine is sourced from PubChem (CID 115058678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).