3-[[4-(2-methylpropyl)phenyl]methyl]piperidine

C16H25N — CID 82049038

IUPAC3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
SMILESCC(C)Cc1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C16H25N/c1-13(2)10-14-5-7-15(8-6-14)11-16-4-3-9-17-12-16/h5-8,13,16-17H,3-4,9-12H2,1-2H3
InChIKeyZGNRVVWLKLKENM-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.43
Rot. Bonds4

About 3-[[4-(2-methylpropyl)phenyl]methyl]piperidine

3-[[4-(2-methylpropyl)phenyl]methyl]piperidine (PubChem CID 82049038) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-[[4-(2-methylpropyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
PubChem CID82049038
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
SMILESCC(C)Cc1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C16H25N/c1-13(2)10-14-5-7-15(8-6-14)11-16-4-3-9-17-12-16/h5-8,13,16-17H,3-4,9-12H2,1-2H3
InChIKeyZGNRVVWLKLKENM-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide
CID 82260307
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706
6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 155136389
(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 95458543
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
4-(azepan-3-ylmethyl)aniline
CID 131866248
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylpropyl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[4-(2-methylpropyl)phenyl]methyl]piperidine (CID 82049038) is 3-[[4-(2-methylpropyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[4-(2-methylpropyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[4-(2-methylpropyl)phenyl]methyl]piperidine is CC(C)Cc1ccc(CC2CCCNC2)cc1.
What is the InChIKey of 3-[[4-(2-methylpropyl)phenyl]methyl]piperidine?
The InChIKey is ZGNRVVWLKLKENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)10-14-5-7-15(8-6-14)11-16-4-3-9-17-12-16/h5-8,13,16-17H,3-4,9-12H2,1-2H3.
What are the key properties of 3-[[4-(2-methylpropyl)phenyl]methyl]piperidine?
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylpropyl)phenyl]methyl]piperidine is sourced from PubChem (CID 82049038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).