1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone

C16H23NO — CID 159274096

IUPAC1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
SMILESCCC1CCN(Cc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H23NO/c1-3-14-8-10-17(11-9-14)12-15-4-6-16(7-5-15)13(2)18/h4-7,14H,3,8-12H2,1-2H3
InChIKeyKKKXGGIGJUVUEN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.51
Rot. Bonds4

About 1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone

1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone (PubChem CID 159274096) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
PubChem CID159274096
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
SMILESCCC1CCN(Cc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H23NO/c1-3-14-8-10-17(11-9-14)12-15-4-6-16(7-5-15)13(2)18/h4-7,14H,3,8-12H2,1-2H3
InChIKeyKKKXGGIGJUVUEN-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 61420812
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54971109
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol
CID 112631282
1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone
CID 155266461
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309
4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 106836390

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone (CID 159274096) is 1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone is CCC1CCN(Cc2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone?
The InChIKey is KKKXGGIGJUVUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-14-8-10-17(11-9-14)12-15-4-6-16(7-5-15)13(2)18/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone?
1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 159274096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).