ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine

C18H33N — CID 153329606

IUPACethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
SMILESCC.CC.Cc1ccc(CC2CCCN(C)C2)cc1
InChIInChI=1S/C14H21N.2C2H6/c1-12-5-7-13(8-6-12)10-14-4-3-9-15(2)11-14;2*1-2/h5-8,14H,3-4,9-11H2,1-2H3;2*1-2H3
InChIKeySTXOTSJLAIKUDT-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.93
Rot. Bonds2

About ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine

ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine (PubChem CID 153329606) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Nameethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
PubChem CID153329606
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Nameethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
SMILESCC.CC.Cc1ccc(CC2CCCN(C)C2)cc1
InChIInChI=1S/C14H21N.2C2H6/c1-12-5-7-13(8-6-12)10-14-4-3-9-15(2)11-14;2*1-2/h5-8,14H,3-4,9-11H2,1-2H3;2*1-2H3
InChIKeySTXOTSJLAIKUDT-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 166226482
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 94384032
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine
CID 82393171
4-benzyl-1-methylazepane
CID 123177845
2-[3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166224707
1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95289755
N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline
CID 116925958
4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124959685
1-methyl-3-[2-[5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]piperidine
CID 72916231

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine (CID 153329606) is ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine is CC.CC.Cc1ccc(CC2CCCN(C)C2)cc1.
What is the InChIKey of ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine?
The InChIKey is STXOTSJLAIKUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.2C2H6/c1-12-5-7-13(8-6-12)10-14-4-3-9-15(2)11-14;2*1-2/h5-8,14H,3-4,9-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine?
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine has a molecular weight of 263.47 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 153329606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).