2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol

C19H31N3O — CID 45241392

IUPAC2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cccnc2)CCN1CC1CCCCC1
InChIInChI=1S/C19H31N3O/c23-12-8-19-16-21(14-18-7-4-9-20-13-18)10-11-22(19)15-17-5-2-1-3-6-17/h4,7,9,13,17,19,23H,1-3,5-6,8,10-12,14-16H2
InChIKeyJHRHFCSJDUKGQO-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.53
Rot. Bonds6

About 2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol

2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45241392) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45241392
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cccnc2)CCN1CC1CCCCC1
InChIInChI=1S/C19H31N3O/c23-12-8-19-16-21(14-18-7-4-9-20-13-18)10-11-22(19)15-17-5-2-1-3-6-17/h4,7,9,13,17,19,23H,1-3,5-6,8,10-12,14-16H2
InChIKeyJHRHFCSJDUKGQO-UHFFFAOYSA-N
XLogP2.53
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29087603
2-[1-(cyclohexylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 45205791
4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 45247515
2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 70779571
2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
CID 28786044
2-[(2R)-1-(cyclohexylmethyl)-4-[(2,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29151142
2-[(2R)-4-(cyclohexylmethyl)-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol
CID 73056753
2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
CID 45199441
2-[(2S)-1-(cyclohexylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29258284
(8aR)-2-cyclohexyl-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537127
2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 51634282

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol (CID 45241392) is 2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2cccnc2)CCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is JHRHFCSJDUKGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c23-12-8-19-16-21(14-18-7-4-9-20-13-18)10-11-22(19)15-17-5-2-1-3-6-17/h4,7,9,13,17,19,23H,1-3,5-6,8,10-12,14-16H2.
What are the key properties of 2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 317.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45241392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).