4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol

C17H34N2O — CID 111462447

IUPAC4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCC(C)CCN1CCN(CC2(O)CCC(C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-15(2)6-9-18-10-12-19(13-11-18)14-17(20)7-4-16(3)5-8-17/h15-16,20H,4-14H2,1-3H3
InChIKeyYZYJOOTUQXCVOS-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.59
Rot. Bonds5

About 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol

4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 111462447) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID111462447
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCC(C)CCN1CCN(CC2(O)CCC(C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-15(2)6-9-18-10-12-19(13-11-18)14-17(20)7-4-16(3)5-8-17/h15-16,20H,4-14H2,1-3H3
InChIKeyYZYJOOTUQXCVOS-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 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 71999745
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol
CID 113425809
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
CID 177319493
4-(aminomethyl)-1-(3-methylbutyl)piperidin-4-ol
CID 82282305
4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
CID 127681814
4-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 43809248
4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 97101326
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol
CID 97216802
4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol
CID 79040662

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol (CID 111462447) is 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol is CC(C)CCN1CCN(CC2(O)CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is YZYJOOTUQXCVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)6-9-18-10-12-19(13-11-18)14-17(20)7-4-16(3)5-8-17/h15-16,20H,4-14H2,1-3H3.
What are the key properties of 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-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 4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 111462447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).