3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine

C15H22ClN — CID 79435538

IUPAC3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1(C)CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-11(2)15(3)8-9-17-10-14(15)12-4-6-13(16)7-5-12/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyAJFQAIZNPPZRCT-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.08
Rot. Bonds2

About 3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine

3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine (PubChem CID 79435538) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine
PubChem CID79435538
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1(C)CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-11(2)15(3)8-9-17-10-14(15)12-4-6-13(16)7-5-12/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyAJFQAIZNPPZRCT-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine
CID 114867310
3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine
CID 79430058
5-(4-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79434527
6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
CID 79913284
5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane
CID 79434074
6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane
CID 79435047
5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane
CID 79433150
11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane
CID 79434196
4-methyl-3,4-di(propan-2-yl)piperidine
CID 79320143
(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol
CID 134386945
4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 79321482
4-methyl-4-(2-methylpropyl)-3-phenylpiperidine
CID 79311894

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine (CID 79435538) is 3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine is CC(C)C1(C)CCNCC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine?
The InChIKey is AJFQAIZNPPZRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11(2)15(3)8-9-17-10-14(15)12-4-6-13(16)7-5-12/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine?
3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine has a molecular weight of 251.80 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 79435538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).