1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol

C17H34N2O — CID 65213827

IUPAC1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCC(C)CNCC1CCCN(CC2(O)CCCCC2)C1
InChIInChI=1S/C17H34N2O/c1-15(2)11-18-12-16-7-6-10-19(13-16)14-17(20)8-4-3-5-9-17/h15-16,18,20H,3-14H2,1-2H3
InChIKeyHGJODGAJFHWVFF-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds6

About 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol

1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 65213827) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID65213827
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCC(C)CNCC1CCCN(CC2(O)CCCCC2)C1
InChIInChI=1S/C17H34N2O/c1-15(2)11-18-12-16-7-6-10-19(13-16)14-17(20)8-4-3-5-9-17/h15-16,18,20H,3-14H2,1-2H3
InChIKeyHGJODGAJFHWVFF-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
[1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]methanol
CID 62276462
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
N-[(1-but-2-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
CID 77010187
1-[[3-(1-aminoethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65208581
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63849022
1-[[3-(2-aminoethyl)piperidin-1-yl]methyl]cyclopentan-1-ol
CID 65212493
1,1,1-trifluoro-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63899673
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 65175422
N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63849354
1-[[3-(dimethylamino)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63950406

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol (CID 65213827) is 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol is CC(C)CNCC1CCCN(CC2(O)CCCCC2)C1.
What is the InChIKey of 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is HGJODGAJFHWVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)11-18-12-16-7-6-10-19(13-16)14-17(20)8-4-3-5-9-17/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65213827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).