2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one

C17H31NO2 — CID 62612572

IUPAC2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CCCC2CCCO)C1
InChIInChI=1S/C17H31NO2/c1-2-5-14-8-9-17(20)15(12-14)13-18-10-3-6-16(18)7-4-11-19/h14-16,19H,2-13H2,1H3
InChIKeyBQWGALBXIGJKGB-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.01
Rot. Bonds7

About 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one

2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one (PubChem CID 62612572) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one
PubChem CID62612572
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CCCC2CCCO)C1
InChIInChI=1S/C17H31NO2/c1-2-5-14-8-9-17(20)15(12-14)13-18-10-3-6-16(18)7-4-11-19/h14-16,19H,2-13H2,1H3
InChIKeyBQWGALBXIGJKGB-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 62612745
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 107228824
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 106837717
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
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
2-[(4-methylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612346
2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 113469011
2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 62616856
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612514
2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62613886
2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 113418795

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one (CID 62612572) is 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN2CCCC2CCCO)C1.
What is the InChIKey of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one?
The InChIKey is BQWGALBXIGJKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-5-14-8-9-17(20)15(12-14)13-18-10-3-6-16(18)7-4-11-19/h14-16,19H,2-13H2,1H3.
What are the key properties of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one?
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one has a molecular weight of 281.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62612572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).