(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol

C11H23NO — CID 155636797

IUPAC(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol
SMILESCC(C)[C@@H]1CCN(C(C)C)C[C@@H]1O
InChIInChI=1S/C11H23NO/c1-8(2)10-5-6-12(9(3)4)7-11(10)13/h8-11,13H,5-7H2,1-4H3/t10-,11-/m0/s1
InChIKeyKUBIYDBCDOCYGW-QWRGUYRKSA-N
MW185.31 g/mol
LogP1.73
Rot. Bonds2

About (3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol

(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol (PubChem CID 155636797) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol
PubChem CID155636797
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol
SMILESCC(C)[C@@H]1CCN(C(C)C)C[C@@H]1O
InChIInChI=1S/C11H23NO/c1-8(2)10-5-6-12(9(3)4)7-11(10)13/h8-11,13H,5-7H2,1-4H3/t10-,11-/m0/s1
InChIKeyKUBIYDBCDOCYGW-QWRGUYRKSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.73
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
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
CID 139299028
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
CID 166157415
4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol
CID 83846266
(3R,4R)-3-hydroxy-1-propan-2-ylpiperidine-4-carbonitrile
CID 177091434
3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
CID 171506094
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
methane;1-propan-2-ylpiperidin-4-ol
CID 158347030
ethane;1-(3-hydroxy-4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 176981752

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol?
The IUPAC name of (3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol (CID 155636797) is (3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol?
The canonical SMILES for (3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol is CC(C)[C@@H]1CCN(C(C)C)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol?
The InChIKey is KUBIYDBCDOCYGW-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)10-5-6-12(9(3)4)7-11(10)13/h8-11,13H,5-7H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol?
(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol is sourced from PubChem (CID 155636797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).