3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine

C16H27N — CID 123449976

IUPAC3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine
SMILESCC1=CC=C(C2CCN(C(C)C)CC2C)CC1
InChIInChI=1S/C16H27N/c1-12(2)17-10-9-16(14(4)11-17)15-7-5-13(3)6-8-15/h5,7,12,14,16H,6,8-11H2,1-4H3
InChIKeyXWECNEBUJIINSU-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.02
Rot. Bonds2

About 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine

3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine (PubChem CID 123449976) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine
PubChem CID123449976
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine
SMILESCC1=CC=C(C2CCN(C(C)C)CC2C)CC1
InChIInChI=1S/C16H27N/c1-12(2)17-10-9-16(14(4)11-17)15-7-5-13(3)6-8-15/h5,7,12,14,16H,6,8-11H2,1-4H3
InChIKeyXWECNEBUJIINSU-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine with MolForge

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Related Compounds

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1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
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(4Z,6Z,14S,19Z,21Z,29S,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,6,12,19,21-pentaene
CID 162908492
N-[(4-isopropenyl-1-cyclohexen-1-yl)methyl]-N,1-dimethyl-4-piperidinamine
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N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
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1-(4-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
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1-(1-Cyclohexylphenyl)piperidine
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CID 89093088
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
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3-[(2,6-Difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine (CID 123449976) is 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine is CC1=CC=C(C2CCN(C(C)C)CC2C)CC1.
What is the InChIKey of 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine?
The InChIKey is XWECNEBUJIINSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)17-10-9-16(14(4)11-17)15-7-5-13(3)6-8-15/h5,7,12,14,16H,6,8-11H2,1-4H3.
What are the key properties of 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine?
3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine has a molecular weight of 233.40 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 123449976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).