[1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol

C16H32N2O — CID 55094284

IUPAC[1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol
SMILESCCNC1CCC(C)CC1CN1CCCCC1CO
InChIInChI=1S/C16H32N2O/c1-3-17-16-8-7-13(2)10-14(16)11-18-9-5-4-6-15(18)12-19/h13-17,19H,3-12H2,1-2H3
InChIKeyXKLGPBVBRFZYEJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds5

About [1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol

[1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol (PubChem CID 55094284) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol
PubChem CID55094284
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol
SMILESCCNC1CCC(C)CC1CN1CCCCC1CO
InChIInChI=1S/C16H32N2O/c1-3-17-16-8-7-13(2)10-14(16)11-18-9-5-4-6-15(18)12-19/h13-17,19H,3-12H2,1-2H3
InChIKeyXKLGPBVBRFZYEJ-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol
CID 116638196
[1-[(2-amino-5-methylcyclohexyl)methyl]piperidin-2-yl]methanol
CID 62609486
[1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol
CID 116638115
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
CID 104692037
N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine
CID 63482113
2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 62616382
2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 55094714
2-[(2,5-dimethylmorpholin-4-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 62616102
N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
CID 62972825
N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 65282251

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol (CID 55094284) is [1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol is CCNC1CCC(C)CC1CN1CCCCC1CO.
What is the InChIKey of [1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol?
The InChIKey is XKLGPBVBRFZYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-17-16-8-7-13(2)10-14(16)11-18-9-5-4-6-15(18)12-19/h13-17,19H,3-12H2,1-2H3.
What are the key properties of [1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol?
[1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 55094284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).