1-tert-butyl-4-(3-methylphenyl)piperidine

C16H25N — CID 158482737

IUPAC1-tert-butyl-4-(3-methylphenyl)piperidine
SMILESCc1cccc(C2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C16H25N/c1-13-6-5-7-15(12-13)14-8-10-17(11-9-14)16(2,3)4/h5-7,12,14H,8-11H2,1-4H3
InChIKeyHHSJHZFICSXXHO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.97
Rot. Bonds1

About 1-tert-butyl-4-(3-methylphenyl)piperidine

1-tert-butyl-4-(3-methylphenyl)piperidine (PubChem CID 158482737) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-methylphenyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-methylphenyl)piperidine
PubChem CID158482737
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-tert-butyl-4-(3-methylphenyl)piperidine
SMILESCc1cccc(C2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C16H25N/c1-13-6-5-7-15(12-13)14-8-10-17(11-9-14)16(2,3)4/h5-7,12,14H,8-11H2,1-4H3
InChIKeyHHSJHZFICSXXHO-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
CID 120851281
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353
1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine
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1-(2-methoxyethyl)-4-(3-methylphenyl)piperidine
CID 163612835
3-(3-methylphenyl)pyrrolidine-1-carbothioamide
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8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 90754912
1-tert-butyl-4-(4-methoxyphenyl)piperidine
CID 58245809
1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 143444546
1-methyl-3-(4-methylsulfonylcyclohexyl)benzene
CID 142555015
1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine
CID 156550920
(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
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2-(3-cyclopropylphenyl)-1-(3-methylphenyl)pyrrolidine
CID 134300269

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-methylphenyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(3-methylphenyl)piperidine (CID 158482737) is 1-tert-butyl-4-(3-methylphenyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(3-methylphenyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(3-methylphenyl)piperidine is Cc1cccc(C2CCN(C(C)(C)C)CC2)c1.
What is the InChIKey of 1-tert-butyl-4-(3-methylphenyl)piperidine?
The InChIKey is HHSJHZFICSXXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-6-5-7-15(12-13)14-8-10-17(11-9-14)16(2,3)4/h5-7,12,14H,8-11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(3-methylphenyl)piperidine?
1-tert-butyl-4-(3-methylphenyl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-methylphenyl)piperidine is sourced from PubChem (CID 158482737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).