(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol

C9H19NO — CID 121424108

IUPAC(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
SMILESCC(C)[C@H]1CCN(C)C[C@H]1O
InChIInChI=1S/C9H19NO/c1-7(2)8-4-5-10(3)6-9(8)11/h7-9,11H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyADGKLTZIIAWKED-RKDXNWHRSA-N
MW157.26 g/mol
LogP0.95
Rot. Bonds1

About (3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol

(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol (PubChem CID 121424108) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
PubChem CID121424108
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
SMILESCC(C)[C@H]1CCN(C)C[C@H]1O
InChIInChI=1S/C9H19NO/c1-7(2)8-4-5-10(3)6-9(8)11/h7-9,11H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyADGKLTZIIAWKED-RKDXNWHRSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol
CID 130368184
(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol
CID 155636797
(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 137457619
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712
4-iodo-1-methylpiperidin-3-ol
CID 134434558
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
(4S)-4-ethyl-1-methylpiperidin-3-ol
CID 142979946
ethane;1-(3-hydroxy-4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 176981752
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol?
The IUPAC name of (3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol (CID 121424108) is (3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol is CC(C)[C@H]1CCN(C)C[C@H]1O.
What is the InChIKey of (3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol?
The InChIKey is ADGKLTZIIAWKED-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)8-4-5-10(3)6-9(8)11/h7-9,11H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol?
(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 121424108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).