2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one

C17H31NO2 — CID 106837717

IUPAC2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CCC(C(C)O)CC2)C1
InChIInChI=1S/C17H31NO2/c1-3-4-14-5-6-17(20)16(11-14)12-18-9-7-15(8-10-18)13(2)19/h13-16,19H,3-12H2,1-2H3
InChIKeyBPWMZQWOOITOEB-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.86
Rot. Bonds5

About 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one

2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one (PubChem CID 106837717) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
PubChem CID106837717
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CCC(C(C)O)CC2)C1
InChIInChI=1S/C17H31NO2/c1-3-4-14-5-6-17(20)16(11-14)12-18-9-7-15(8-10-18)13(2)19/h13-16,19H,3-12H2,1-2H3
InChIKeyBPWMZQWOOITOEB-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 113418795
4-ethyl-2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 112628882
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
4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 103502496
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 107228824
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612514
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 103538833
2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one
CID 130548344
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 81474487
2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62613886

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one (CID 106837717) is 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN2CCC(C(C)O)CC2)C1.
What is the InChIKey of 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one?
The InChIKey is BPWMZQWOOITOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-4-14-5-6-17(20)16(11-14)12-18-9-7-15(8-10-18)13(2)19/h13-16,19H,3-12H2,1-2H3.
What are the key properties of 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one?
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one has a molecular weight of 281.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 106837717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).