3-(azocan-1-ylmethyl)pyrrolidin-3-ol

C12H24N2O — CID 84679274

IUPAC3-(azocan-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CN2CCCCCCC2)CCNC1
InChIInChI=1S/C12H24N2O/c15-12(6-7-13-10-12)11-14-8-4-2-1-3-5-9-14/h13,15H,1-11H2
InChIKeyHKZNMARMKNNLEB-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.98
Rot. Bonds2

About 3-(azocan-1-ylmethyl)pyrrolidin-3-ol

3-(azocan-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 84679274) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(azocan-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(azocan-1-ylmethyl)pyrrolidin-3-ol
PubChem CID84679274
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(azocan-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CN2CCCCCCC2)CCNC1
InChIInChI=1S/C12H24N2O/c15-12(6-7-13-10-12)11-14-8-4-2-1-3-5-9-14/h13,15H,1-11H2
InChIKeyHKZNMARMKNNLEB-UHFFFAOYSA-N
XLogP0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 129407519
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 3-(azocan-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(azocan-1-ylmethyl)pyrrolidin-3-ol (CID 84679274) is 3-(azocan-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(azocan-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(azocan-1-ylmethyl)pyrrolidin-3-ol is OC1(CN2CCCCCCC2)CCNC1.
What is the InChIKey of 3-(azocan-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is HKZNMARMKNNLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c15-12(6-7-13-10-12)11-14-8-4-2-1-3-5-9-14/h13,15H,1-11H2.
What are the key properties of 3-(azocan-1-ylmethyl)pyrrolidin-3-ol?
3-(azocan-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 84679274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).