(3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol

C10H20N2O — CID 57021624

IUPAC(3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol
SMILESCN1CCC([C@@H]2C[C@@H](O)CN2)CC1
InChIInChI=1S/C10H20N2O/c1-12-4-2-8(3-5-12)10-6-9(13)7-11-10/h8-11,13H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyKUIVBQHYZVIYOC-ZJUUUORDSA-N
MW184.28 g/mol
LogP0.05
Rot. Bonds1

About (3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol

(3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol (PubChem CID 57021624) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol
PubChem CID57021624
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol
SMILESCN1CCC([C@@H]2C[C@@H](O)CN2)CC1
InChIInChI=1S/C10H20N2O/c1-12-4-2-8(3-5-12)10-6-9(13)7-11-10/h8-11,13H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyKUIVBQHYZVIYOC-ZJUUUORDSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol (CID 57021624) is (3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol is CN1CCC([C@@H]2C[C@@H](O)CN2)CC1.
What is the InChIKey of (3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol?
The InChIKey is KUIVBQHYZVIYOC-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12-4-2-8(3-5-12)10-6-9(13)7-11-10/h8-11,13H,2-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol?
(3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol has a molecular weight of 184.28 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 57021624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).