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

C15H30N2O — CID 111116685

IUPAC1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CN(C)CC2CCC2)CC1
InChIInChI=1S/C15H30N2O/c1-13-6-8-17(9-7-13)12-15(18)11-16(2)10-14-4-3-5-14/h13-15,18H,3-12H2,1-2H3
InChIKeyBSYUHULOBIZTNN-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.81
Rot. Bonds6

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

1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 111116685) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID111116685
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CN(C)CC2CCC2)CC1
InChIInChI=1S/C15H30N2O/c1-13-6-8-17(9-7-13)12-15(18)11-16(2)10-14-4-3-5-14/h13-15,18H,3-12H2,1-2H3
InChIKeyBSYUHULOBIZTNN-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448880
2-[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-methylamino]acetonitrile
CID 111106256
1-[cyclopropylmethyl(methyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 75405278
(2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 98845810
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
1-[cyclobutylmethyl(methyl)amino]-3-(methylamino)propan-2-ol
CID 62860043
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
1-[(2-fluorophenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904922
1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol
CID 112561400
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111799496

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 111116685) is 1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)CN(C)CC2CCC2)CC1.
What is the InChIKey of 1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is BSYUHULOBIZTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-6-8-17(9-7-13)12-15(18)11-16(2)10-14-4-3-5-14/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 111116685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).