2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol

C20H39N3O — CID 82565142

IUPAC2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol
SMILESCN(CC1CCNCC1N1CCCCC1CCO)C1CCCCC1
InChIInChI=1S/C20H39N3O/c1-22(18-7-3-2-4-8-18)16-17-10-12-21-15-20(17)23-13-6-5-9-19(23)11-14-24/h17-21,24H,2-16H2,1H3
InChIKeyABDBFYLHQIXPTI-UHFFFAOYSA-N
MW337.55 g/mol
LogP2.47
Rot. Bonds6

About 2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol

2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol (PubChem CID 82565142) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is 2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol
PubChem CID82565142
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol
SMILESCN(CC1CCNCC1N1CCCCC1CCO)C1CCCCC1
InChIInChI=1S/C20H39N3O/c1-22(18-7-3-2-4-8-18)16-17-10-12-21-15-20(17)23-13-6-5-9-19(23)11-14-24/h17-21,24H,2-16H2,1H3
InChIKeyABDBFYLHQIXPTI-UHFFFAOYSA-N
XLogP2.47
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-3-yl]piperidin-2-yl]ethanol
CID 82565137
1-[3-(2-ethylpiperidin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 82565050
N-[[3-(1,4-diazepan-1-yl)piperidin-4-yl]methyl]-N-methylcyclohexanamine
CID 82565022
2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine
CID 82565054
2-[1-[[3-(dimethylamino)piperidin-4-yl]methyl]piperidin-2-yl]ethanol
CID 82564786
N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine
CID 82565202
1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 82564930
2-[1-(azepan-4-yl)piperidin-2-yl]ethanol
CID 103983135
N,1-dimethyl-N-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine
CID 82564925
N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine
CID 82564905
2-[1-[1-(2-hydroxyethyl)piperazin-2-yl]piperidin-2-yl]ethanol;piperazine
CID 174426773
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
CID 75576493

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol (CID 82565142) is 2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol is CN(CC1CCNCC1N1CCCCC1CCO)C1CCCCC1.
What is the InChIKey of 2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol?
The InChIKey is ABDBFYLHQIXPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-22(18-7-3-2-4-8-18)16-17-10-12-21-15-20(17)23-13-6-5-9-19(23)11-14-24/h17-21,24H,2-16H2,1H3.
What are the key properties of 2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol?
2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol has a molecular weight of 337.55 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-3-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 82565142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).