1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol

C17H34N2O — CID 114682040

IUPAC1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol
SMILESCCNCC1(CN2CCC(O)C(C)C2)CCC(C)CC1
InChIInChI=1S/C17H34N2O/c1-4-18-12-17(8-5-14(2)6-9-17)13-19-10-7-16(20)15(3)11-19/h14-16,18,20H,4-13H2,1-3H3
InChIKeyUBDZVUZQEUXUNO-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.50
Rot. Bonds5

About 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol

1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol (PubChem CID 114682040) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol
PubChem CID114682040
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol
SMILESCCNCC1(CN2CCC(O)C(C)C2)CCC(C)CC1
InChIInChI=1S/C17H34N2O/c1-4-18-12-17(8-5-14(2)6-9-17)13-19-10-7-16(20)15(3)11-19/h14-16,18,20H,4-13H2,1-3H3
InChIKeyUBDZVUZQEUXUNO-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol with MolForge

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Related Compounds

1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylpiperidin-3-ol
CID 102967040
1-[1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837777
3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 114682011
1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol
CID 107408681
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79184034
3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
CID 114682037
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
CID 79184587
N-[[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 102967157
N-[[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 107459367
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 113418861
1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967293
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol (CID 114682040) is 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol is CCNCC1(CN2CCC(O)C(C)C2)CCC(C)CC1.
What is the InChIKey of 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol?
The InChIKey is UBDZVUZQEUXUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-18-12-17(8-5-14(2)6-9-17)13-19-10-7-16(20)15(3)11-19/h14-16,18,20H,4-13H2,1-3H3.
What are the key properties of 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol?
1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol has a molecular weight of 282.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114682040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).