3-[(3-propan-2-ylphenyl)methyl]piperidine

C15H23N — CID 84785652

IUPAC3-[(3-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1cccc(CC2CCCNC2)c1
InChIInChI=1S/C15H23N/c1-12(2)15-7-3-5-13(10-15)9-14-6-4-8-16-11-14/h3,5,7,10,12,14,16H,4,6,8-9,11H2,1-2H3
InChIKeyGQKXJHDARWYLJK-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.35
Rot. Bonds3

About 3-[(3-propan-2-ylphenyl)methyl]piperidine

3-[(3-propan-2-ylphenyl)methyl]piperidine (PubChem CID 84785652) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-[(3-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3-propan-2-ylphenyl)methyl]piperidine
PubChem CID84785652
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-[(3-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1cccc(CC2CCCNC2)c1
InChIInChI=1S/C15H23N/c1-12(2)15-7-3-5-13(10-15)9-14-6-4-8-16-11-14/h3,5,7,10,12,14,16H,4,6,8-9,11H2,1-2H3
InChIKeyGQKXJHDARWYLJK-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol
CID 117342846
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-(piperidin-3-ylmethyl)phenol
CID 57155980
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine
CID 115009336
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
CID 117498825
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 3-[(3-propan-2-ylphenyl)methyl]piperidine (CID 84785652) is 3-[(3-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(3-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(3-propan-2-ylphenyl)methyl]piperidine is CC(C)c1cccc(CC2CCCNC2)c1.
What is the InChIKey of 3-[(3-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is GQKXJHDARWYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)15-7-3-5-13(10-15)9-14-6-4-8-16-11-14/h3,5,7,10,12,14,16H,4,6,8-9,11H2,1-2H3.
What are the key properties of 3-[(3-propan-2-ylphenyl)methyl]piperidine?
3-[(3-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 84785652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).