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

C18H34N2O — CID 107228887

IUPAC2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(CC2(CNC3CC3)CCCCC2)C1
InChIInChI=1S/C18H34N2O/c21-12-8-16-5-4-11-20(13-16)15-18(9-2-1-3-10-18)14-19-17-6-7-17/h16-17,19,21H,1-15H2
InChIKeyQBPDXQYDDZKPMG-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.78
Rot. Bonds7

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

2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol (PubChem CID 107228887) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol
PubChem CID107228887
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(CC2(CNC3CC3)CCCCC2)C1
InChIInChI=1S/C18H34N2O/c21-12-8-16-5-4-11-20(13-16)15-18(9-2-1-3-10-18)14-19-17-6-7-17/h16-17,19,21H,1-15H2
InChIKeyQBPDXQYDDZKPMG-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol with MolForge

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Related Compounds

2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 114800136
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 65282297
1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-4-methylpiperidin-3-ol
CID 102967067
N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62270781
2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol
CID 107228855
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-3-yl]methanol
CID 62276274
[1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]methanol
CID 62276462
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
N-[[3-[(3-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256133
[1-[[1-[(cyclopropylamino)methyl]-3-methylcyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967181
1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine
CID 65010517
2-[1-[[4-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 114800043

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol (CID 107228887) is 2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol is OCCC1CCCN(CC2(CNC3CC3)CCCCC2)C1.
What is the InChIKey of 2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol?
The InChIKey is QBPDXQYDDZKPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c21-12-8-16-5-4-11-20(13-16)15-18(9-2-1-3-10-18)14-19-17-6-7-17/h16-17,19,21H,1-15H2.
What are the key properties of 2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol?
2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol has a molecular weight of 294.48 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).