4-(5-chloro-2-propan-2-ylphenyl)piperidine

C14H20ClN — CID 84700493

IUPAC4-(5-chloro-2-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(Cl)cc1C1CCNCC1
InChIInChI=1S/C14H20ClN/c1-10(2)13-4-3-12(15)9-14(13)11-5-7-16-8-6-11/h3-4,9-11,16H,5-8H2,1-2H3
InChIKeyCLWIDTVCUSHOSY-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.93
Rot. Bonds2

About 4-(5-chloro-2-propan-2-ylphenyl)piperidine

4-(5-chloro-2-propan-2-ylphenyl)piperidine (PubChem CID 84700493) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 4-(5-chloro-2-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name4-(5-chloro-2-propan-2-ylphenyl)piperidine
PubChem CID84700493
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name4-(5-chloro-2-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(Cl)cc1C1CCNCC1
InChIInChI=1S/C14H20ClN/c1-10(2)13-4-3-12(15)9-14(13)11-5-7-16-8-6-11/h3-4,9-11,16H,5-8H2,1-2H3
InChIKeyCLWIDTVCUSHOSY-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-fluoro-2-propan-2-ylphenyl)piperidine
CID 84788145
4-(5-ethyl-2-propan-2-ylphenyl)piperidine
CID 117335152
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
CID 86322333
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
methyl 5-chloro-2-piperidin-4-ylbenzoate
CID 59662176
4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine
CID 142119498
N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide
CID 78027407
4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene
CID 167302723
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117
4-(4-chloro-2-cyclohexylphenoxy)piperidine
CID 22397483
7-chloro-3-piperidin-4-yl-1H-quinolin-2-one
CID 53427784

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-propan-2-ylphenyl)piperidine?
The IUPAC name of 4-(5-chloro-2-propan-2-ylphenyl)piperidine (CID 84700493) is 4-(5-chloro-2-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 4-(5-chloro-2-propan-2-ylphenyl)piperidine?
The canonical SMILES for 4-(5-chloro-2-propan-2-ylphenyl)piperidine is CC(C)c1ccc(Cl)cc1C1CCNCC1.
What is the InChIKey of 4-(5-chloro-2-propan-2-ylphenyl)piperidine?
The InChIKey is CLWIDTVCUSHOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10(2)13-4-3-12(15)9-14(13)11-5-7-16-8-6-11/h3-4,9-11,16H,5-8H2,1-2H3.
What are the key properties of 4-(5-chloro-2-propan-2-ylphenyl)piperidine?
4-(5-chloro-2-propan-2-ylphenyl)piperidine has a molecular weight of 237.77 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 84700493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).