2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol

C17H34N2O — CID 62609589

IUPAC2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)C2CCCN(C)C2)C1
InChIInChI=1S/C17H34N2O/c1-4-6-14-8-9-17(20)15(11-14)12-19(3)16-7-5-10-18(2)13-16/h14-17,20H,4-13H2,1-3H3
InChIKeyKMGDCEMWTWSWCA-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.59
Rot. Bonds5

About 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol

2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 62609589) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID62609589
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)C2CCCN(C)C2)C1
InChIInChI=1S/C17H34N2O/c1-4-6-14-8-9-17(20)15(11-14)12-19(3)16-7-5-10-18(2)13-16/h14-17,20H,4-13H2,1-3H3
InChIKeyKMGDCEMWTWSWCA-UHFFFAOYSA-N
XLogP2.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol with MolForge

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Related Compounds

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 79310538
4-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 62609711
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115221459
4-ethyl-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 62611313
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611262
N,1-dimethyl-N-[[2-(propylamino)cyclopentyl]methyl]piperidin-3-amine
CID 55094812
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609053
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 62610219
2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63488559
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-propylcyclohexan-1-ol
CID 65324367
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-ol
CID 63169050
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol (CID 62609589) is 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)C2CCCN(C)C2)C1.
What is the InChIKey of 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is KMGDCEMWTWSWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-6-14-8-9-17(20)15(11-14)12-19(3)16-7-5-10-18(2)13-16/h14-17,20H,4-13H2,1-3H3.
What are the key properties of 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol?
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62609589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).