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

C12H26N2O — CID 64718593

IUPAC4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-10(9-11(2)15)14(4)12-5-7-13(3)8-6-12/h10-12,15H,5-9H2,1-4H3
InChIKeySKTVBAAVGNFLLK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.17
Rot. Bonds4

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

4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol (PubChem CID 64718593) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol
PubChem CID64718593
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-10(9-11(2)15)14(4)12-5-7-13(3)8-6-12/h10-12,15H,5-9H2,1-4H3
InChIKeySKTVBAAVGNFLLK-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
4-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748967
2-(cyclopropylamino)-2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 64798033
2-methylbutane;N,N,1-trimethylpiperidin-4-amine
CID 142525400
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 64725416
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 79406516
2-(dimethylamino)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238580
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79111184
(1-methylpiperidin-4-yl)methanediol
CID 21366498
(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 28598739

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol (CID 64718593) is 4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol is CC(O)CC(C)N(C)C1CCN(C)CC1.
What is the InChIKey of 4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol?
The InChIKey is SKTVBAAVGNFLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(9-11(2)15)14(4)12-5-7-13(3)8-6-12/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol?
4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 64718593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).