(3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol

C11H23NO — CID 130368184

IUPAC(3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol
SMILESCCCC(C)C1CCN(C)C[C@@H]1O
InChIInChI=1S/C11H23NO/c1-4-5-9(2)10-6-7-12(3)8-11(10)13/h9-11,13H,4-8H2,1-3H3/t9?,10?,11-/m0/s1
InChIKeyBCLBNQWPWDLXMH-ILDUYXDCSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds3

About (3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol

(3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol (PubChem CID 130368184) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol
PubChem CID130368184
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol
SMILESCCCC(C)C1CCN(C)C[C@@H]1O
InChIInChI=1S/C11H23NO/c1-4-5-9(2)10-6-7-12(3)8-11(10)13/h9-11,13H,4-8H2,1-3H3/t9?,10?,11-/m0/s1
InChIKeyBCLBNQWPWDLXMH-ILDUYXDCSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
CID 121424108
2-pentan-2-yl-4-propylcyclohexan-1-ol
CID 107885956
(4S)-4-ethyl-1-methylpiperidin-3-ol
CID 142979946
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
4-iodo-1-methylpiperidin-3-ol
CID 134434558
(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol
CID 89166355
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
CID 107889260
1-methyl-3-propylpyrrolidine;nitric acid
CID 175244949
3-ethyl-1-methylpyrrolidine;methane
CID 161184146

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol?
The IUPAC name of (3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol (CID 130368184) is (3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol.
What is the SMILES notation for (3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol?
The canonical SMILES for (3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol is CCCC(C)C1CCN(C)C[C@@H]1O.
What is the InChIKey of (3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol?
The InChIKey is BCLBNQWPWDLXMH-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-9(2)10-6-7-12(3)8-11(10)13/h9-11,13H,4-8H2,1-3H3/t9?,10?,11-/m0/s1.
What are the key properties of (3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol?
(3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol is sourced from PubChem (CID 130368184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).