(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol

C9H18N2O — CID 130802727

IUPAC(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(C2CNC2)C1
InChIInChI=1S/C9H18N2O/c1-7-2-9(12)6-11(5-7)8-3-10-4-8/h7-10,12H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyDJNUZGZXCRZVKV-APPZFPTMSA-N
MW170.26 g/mol
LogP-0.34
Rot. Bonds1

About (3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol

(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol (PubChem CID 130802727) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol
PubChem CID130802727
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(C2CNC2)C1
InChIInChI=1S/C9H18N2O/c1-7-2-9(12)6-11(5-7)8-3-10-4-8/h7-10,12H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyDJNUZGZXCRZVKV-APPZFPTMSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)pyrrolidine-3,4-diol
CID 106674356
1-(azetidin-3-yl)pyrrolidin-3-ol
CID 55278856
4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703405
3-(3,4-dimethylpyrrolidin-1-yl)-5-methylpiperidine
CID 115373534
1-azabicyclo[3.1.0]hexan-3-ol
CID 178124587
tert-butyl (3S,5S)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]piperidine-3-carboxylate
CID 125458007
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
(8R,9aS)-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-ol
CID 131022422
(3S,5S)-1-amino-5-methylpiperidin-3-ol
CID 134534794
3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane
CID 138958511
4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide
CID 130791969
3,5-dimethyl-1-piperidin-4-ylpiperidine;ethane
CID 143377643

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol?
The IUPAC name of (3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol (CID 130802727) is (3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol.
What is the SMILES notation for (3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol?
The canonical SMILES for (3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol is C[C@@H]1C[C@H](O)CN(C2CNC2)C1.
What is the InChIKey of (3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol?
The InChIKey is DJNUZGZXCRZVKV-APPZFPTMSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-2-9(12)6-11(5-7)8-3-10-4-8/h7-10,12H,2-6H2,1H3/t7-,9+/m1/s1.
What are the key properties of (3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol?
(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol is sourced from PubChem (CID 130802727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).