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

C9H19NO2 — CID 166157415

IUPAC(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CC[C@@H](CO)[C@H](O)C1
InChIInChI=1S/C9H19NO2/c1-7(2)10-4-3-8(6-11)9(12)5-10/h7-9,11-12H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyZBMOTSLOWTXPRD-DTWKUNHWSA-N
MW173.26 g/mol
LogP0.07
Rot. Bonds2

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

(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol (PubChem CID 166157415) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
PubChem CID166157415
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CC[C@@H](CO)[C@H](O)C1
InChIInChI=1S/C9H19NO2/c1-7(2)10-4-3-8(6-11)9(12)5-10/h7-9,11-12H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyZBMOTSLOWTXPRD-DTWKUNHWSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol
CID 83846266
4-(hydroxymethyl)-1-(2-methylpropyl)piperidin-3-ol
CID 130703735
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol
CID 155636797
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol
CID 119036444
N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide
CID 91920868
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol
CID 126987363
(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol
CID 158126108
2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
CID 167226625
(3R,4R)-3-hydroxy-1-propan-2-ylpiperidine-4-carbonitrile
CID 177091434

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of (3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol (CID 166157415) is (3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol is CC(C)N1CC[C@@H](CO)[C@H](O)C1.
What is the InChIKey of (3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol?
The InChIKey is ZBMOTSLOWTXPRD-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)10-4-3-8(6-11)9(12)5-10/h7-9,11-12H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol?
(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 166157415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).