3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol

C15H32N2O — CID 114249996

IUPAC3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
SMILESCC(C)CNCC1CCN(CC(O)C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-12(2)9-16-10-14-5-7-17(8-6-14)11-15(18)13(3)4/h12-16,18H,5-11H2,1-4H3
InChIKeyYSLBBMPRHXQZEW-UHFFFAOYSA-N
MW256.43 g/mol
LogP1.96
Rot. Bonds7

About 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol

3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol (PubChem CID 114249996) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
PubChem CID114249996
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
SMILESCC(C)CNCC1CCN(CC(O)C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-12(2)9-16-10-14-5-7-17(8-6-14)11-15(18)13(3)4/h12-16,18H,5-11H2,1-4H3
InChIKeyYSLBBMPRHXQZEW-UHFFFAOYSA-N
XLogP1.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
CID 107707143
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetonitrile
CID 63849301
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63937896
1-(cyclopentylmethylamino)-3-methylbutan-2-ol
CID 115907214
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol?
The IUPAC name of 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol (CID 114249996) is 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol?
The canonical SMILES for 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol is CC(C)CNCC1CCN(CC(O)C(C)C)CC1.
What is the InChIKey of 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol?
The InChIKey is YSLBBMPRHXQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)9-16-10-14-5-7-17(8-6-14)11-15(18)13(3)4/h12-16,18H,5-11H2,1-4H3.
What are the key properties of 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol?
3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol has a molecular weight of 256.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 114249996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).