[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol

C12H24N2O — CID 53211509

IUPAC[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCCN2CCCC2)C1
InChIInChI=1S/C12H24N2O/c15-11-12-4-9-14(10-12)8-3-7-13-5-1-2-6-13/h12,15H,1-11H2
InChIKeyAIEATRLNESKNPB-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.79
Rot. Bonds5

About [1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol

[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol (PubChem CID 53211509) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
PubChem CID53211509
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCCN2CCCC2)C1
InChIInChI=1S/C12H24N2O/c15-11-12-4-9-14(10-12)8-3-7-13-5-1-2-6-13/h12,15H,1-11H2
InChIKeyAIEATRLNESKNPB-UHFFFAOYSA-N
XLogP0.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
(1-but-3-ynylpyrrolidin-3-yl)methanol
CID 62372268
5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
CID 112626363
[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
3-(chloromethyl)-1-(3-pyrrolidin-1-ylpropyl)piperidine
CID 63386793
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol
CID 124679316
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 64867957
4-[3-(hydroxymethyl)piperidin-1-yl]butanethioamide
CID 43590304
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785

Frequently Asked Questions

What is the IUPAC name of [1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol (CID 53211509) is [1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol is OCC1CCN(CCCN2CCCC2)C1.
What is the InChIKey of [1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol?
The InChIKey is AIEATRLNESKNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c15-11-12-4-9-14(10-12)8-3-7-13-5-1-2-6-13/h12,15H,1-11H2.
What are the key properties of [1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol?
[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol has a molecular weight of 212.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 53211509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).