(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

C10H20N2O — CID 129407519

IUPAC(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@]1(CN2CCCCC2)CCNC1
InChIInChI=1S/C10H20N2O/c13-10(4-5-11-8-10)9-12-6-2-1-3-7-12/h11,13H,1-9H2/t10-/m0/s1
InChIKeyXFKBUDUPBBULRW-JTQLQIEISA-N
MW184.28 g/mol
LogP0.20
Rot. Bonds2

About (3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 129407519) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
PubChem CID129407519
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@]1(CN2CCCCC2)CCNC1
InChIInChI=1S/C10H20N2O/c13-10(4-5-11-8-10)9-12-6-2-1-3-7-12/h11,13H,1-9H2/t10-/m0/s1
InChIKeyXFKBUDUPBBULRW-JTQLQIEISA-N
XLogP0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azocan-1-ylmethyl)pyrrolidin-3-ol
CID 84679274
3-(morpholin-4-ylmethyl)pyrrolidin-3-ol;dihydrochloride
CID 146675400
3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 146675401
4-(3-azaspiro[5.5]undecan-3-ylmethyl)piperidin-4-ol
CID 62936913
4-(azetidin-1-ylmethyl)azepan-4-ol
CID 84718848
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol
CID 126983391
3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 164648785
1-(piperazin-1-ylmethyl)cyclobutan-1-ol
CID 82503232
4-[(3-fluoropiperidin-1-yl)methyl]piperidin-4-ol
CID 126846041
1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one
CID 126846921
3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol
CID 70733539

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (CID 129407519) is (3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is O[C@@]1(CN2CCCCC2)CCNC1.
What is the InChIKey of (3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is XFKBUDUPBBULRW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O/c13-10(4-5-11-8-10)9-12-6-2-1-3-7-12/h11,13H,1-9H2/t10-/m0/s1.
What are the key properties of (3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 184.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 129407519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).