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

C15H25N — CID 143603243

IUPACethane;1-[(4-methylphenyl)methyl]piperidine
SMILESCC.Cc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C13H19N.C2H6/c1-12-5-7-13(8-6-12)11-14-9-3-2-4-10-14;1-2/h5-8H,2-4,9-11H2,1H3;1-2H3
InChIKeyGMNMEYHAOPIEGT-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.01
Rot. Bonds2

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

ethane;1-[(4-methylphenyl)methyl]piperidine (PubChem CID 143603243) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;1-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Nameethane;1-[(4-methylphenyl)methyl]piperidine
PubChem CID143603243
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Nameethane;1-[(4-methylphenyl)methyl]piperidine
SMILESCC.Cc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C13H19N.C2H6/c1-12-5-7-13(8-6-12)11-14-9-3-2-4-10-14;1-2/h5-8H,2-4,9-11H2,1H3;1-2H3
InChIKeyGMNMEYHAOPIEGT-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-methylphenyl)methyl]azepane
CID 3951815
2-[4-(carboxymethyl)-7-[(4-methylphenyl)methyl]-1,4,7-triazacyclododec-1-yl]acetic acid
CID 170226705
1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
CID 163358516
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
ethane;1-methoxy-1-methyl-4-[(4-methylphenyl)methyl]-1,4-diazepan-1-ium
CID 144943963
1-benzylazepane
CID 10954328
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799
1,7-bis[(3,5-difluorophenyl)methyl]-4,10-bis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 139159419

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of ethane;1-[(4-methylphenyl)methyl]piperidine (CID 143603243) is ethane;1-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for ethane;1-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for ethane;1-[(4-methylphenyl)methyl]piperidine is CC.Cc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of ethane;1-[(4-methylphenyl)methyl]piperidine?
The InChIKey is GMNMEYHAOPIEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-12-5-7-13(8-6-12)11-14-9-3-2-4-10-14;1-2/h5-8H,2-4,9-11H2,1H3;1-2H3.
What are the key properties of ethane;1-[(4-methylphenyl)methyl]piperidine?
ethane;1-[(4-methylphenyl)methyl]piperidine has a molecular weight of 219.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 143603243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).