4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one

C17H31NO — CID 103502496

IUPAC4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCC(C(C)C)CC2)C1
InChIInChI=1S/C17H31NO/c1-4-14-5-6-17(19)16(11-14)12-18-9-7-15(8-10-18)13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyWSEFXKLTXKEEGV-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds4

About 4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one

4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one (PubChem CID 103502496) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one
PubChem CID103502496
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCC(C(C)C)CC2)C1
InChIInChI=1S/C17H31NO/c1-4-14-5-6-17(19)16(11-14)12-18-9-7-15(8-10-18)13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyWSEFXKLTXKEEGV-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one
CID 130548344
4-ethyl-2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 112628882
2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 113418795
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 106837717
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-ethylcyclohexan-1-one
CID 63484106
4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 102966876
2-[(4-propan-2-ylpiperidin-1-yl)methyl]cycloheptan-1-one
CID 103502471
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62613397
4-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]cyclohexan-1-one
CID 113418812
2-[(4-methylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612346
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one
CID 82685075
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one (CID 103502496) is 4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN2CCC(C(C)C)CC2)C1.
What is the InChIKey of 4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is WSEFXKLTXKEEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-14-5-6-17(19)16(11-14)12-18-9-7-15(8-10-18)13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one?
4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 265.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 103502496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).