3-[4-(2,2-dimethylpropyl)phenyl]piperidine

C16H25N — CID 117335235

IUPAC3-[4-(2,2-dimethylpropyl)phenyl]piperidine
SMILESCC(C)(C)Cc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C16H25N/c1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyJUCCMEMKTFCDKW-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.74
Rot. Bonds2

About 3-[4-(2,2-dimethylpropyl)phenyl]piperidine

3-[4-(2,2-dimethylpropyl)phenyl]piperidine (PubChem CID 117335235) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropyl)phenyl]piperidine.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropyl)phenyl]piperidine
PubChem CID117335235
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-[4-(2,2-dimethylpropyl)phenyl]piperidine
SMILESCC(C)(C)Cc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C16H25N/c1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyJUCCMEMKTFCDKW-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylphenyl)piperidine
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CID 116988263
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
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3-[4-(2-fluoropropyl)phenyl]piperidine
CID 84687072
3-[4-(2-methoxypropyl)phenyl]piperidine
CID 117339182
2-methyl-4-(4-pyrrolidin-3-ylphenyl)butan-2-ol
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2-tert-butyl-5-piperidin-3-ylpyridine
CID 134595467
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
3-(4-methoxyphenyl)piperidine
CID 12937920
3-(4-ethylsulfanylphenyl)piperidine
CID 82494383
3-[(4-cyclobutylphenyl)methyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropyl)phenyl]piperidine?
The IUPAC name of 3-[4-(2,2-dimethylpropyl)phenyl]piperidine (CID 117335235) is 3-[4-(2,2-dimethylpropyl)phenyl]piperidine.
What is the SMILES notation for 3-[4-(2,2-dimethylpropyl)phenyl]piperidine?
The canonical SMILES for 3-[4-(2,2-dimethylpropyl)phenyl]piperidine is CC(C)(C)Cc1ccc(C2CCCNC2)cc1.
What is the InChIKey of 3-[4-(2,2-dimethylpropyl)phenyl]piperidine?
The InChIKey is JUCCMEMKTFCDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15/h6-9,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of 3-[4-(2,2-dimethylpropyl)phenyl]piperidine?
3-[4-(2,2-dimethylpropyl)phenyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropyl)phenyl]piperidine is sourced from PubChem (CID 117335235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).