1,3-dipyrrolidin-1-ylpropan-2-ol

C11H22N2O — CID 57126359

IUPAC1,3-dipyrrolidin-1-ylpropan-2-ol
SMILESOC(CN1CCCC1)CN1CCCC1
InChIInChI=1S/C11H22N2O/c14-11(9-12-5-1-2-6-12)10-13-7-3-4-8-13/h11,14H,1-10H2
InChIKeyIMHRMXJMEAPBMG-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.54
Rot. Bonds4

About 1,3-dipyrrolidin-1-ylpropan-2-ol

1,3-dipyrrolidin-1-ylpropan-2-ol (PubChem CID 57126359) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,3-dipyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1,3-dipyrrolidin-1-ylpropan-2-ol
PubChem CID57126359
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1,3-dipyrrolidin-1-ylpropan-2-ol
SMILESOC(CN1CCCC1)CN1CCCC1
InChIInChI=1S/C11H22N2O/c14-11(9-12-5-1-2-6-12)10-13-7-3-4-8-13/h11,14H,1-10H2
InChIKeyIMHRMXJMEAPBMG-UHFFFAOYSA-N
XLogP0.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
CID 102309781
(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
1-(azonan-1-yl)butan-2-ol
CID 130671766
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298
4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde
CID 3246248
1-(azepan-1-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 50951979
4-(azepan-1-yl)-3-hydroxybutanoic acid
CID 82774888
2-hydroxy-3-pyrrolidin-1-ylpropane-1-sulfonic acid
CID 12046466
6-pyrrolidin-1-ylhexane-1,5-diol
CID 54441459
5-amino-1-piperidin-1-ylpentan-2-ol
CID 18549935
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254

Frequently Asked Questions

What is the IUPAC name of 1,3-dipyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1,3-dipyrrolidin-1-ylpropan-2-ol (CID 57126359) is 1,3-dipyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1,3-dipyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1,3-dipyrrolidin-1-ylpropan-2-ol is OC(CN1CCCC1)CN1CCCC1.
What is the InChIKey of 1,3-dipyrrolidin-1-ylpropan-2-ol?
The InChIKey is IMHRMXJMEAPBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c14-11(9-12-5-1-2-6-12)10-13-7-3-4-8-13/h11,14H,1-10H2.
What are the key properties of 1,3-dipyrrolidin-1-ylpropan-2-ol?
1,3-dipyrrolidin-1-ylpropan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 57126359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).