2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol

C13H27N3O — CID 62021526

IUPAC2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCN2CCCC2)CC1
InChIInChI=1S/C13H27N3O/c17-13-12-16-10-8-15(9-11-16)7-3-6-14-4-1-2-5-14/h17H,1-13H2
InChIKeyBWSGKQPVUDLQHL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.08
Rot. Bonds6

About 2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol

2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol (PubChem CID 62021526) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
PubChem CID62021526
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCN2CCCC2)CC1
InChIInChI=1S/C13H27N3O/c17-13-12-16-10-8-15(9-11-16)7-3-6-14-4-1-2-5-14/h17H,1-13H2
InChIKeyBWSGKQPVUDLQHL-UHFFFAOYSA-N
XLogP0.08
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
CID 70500350
propan-1-ol;2-pyrrolidin-1-ylethanol
CID 174908040
methoxymethane;2-pyrrolidin-1-ylethanol
CID 142059876
2-(4-octyl-1,4-diazepan-1-yl)ethanol
CID 63309782
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
CID 43253174
acetylene;3-piperidin-1-ylpropan-1-ol
CID 162683866
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 80695797
2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanol
CID 57255409

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol (CID 62021526) is 2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol is OCCN1CCN(CCCN2CCCC2)CC1.
What is the InChIKey of 2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol?
The InChIKey is BWSGKQPVUDLQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c17-13-12-16-10-8-15(9-11-16)7-3-6-14-4-1-2-5-14/h17H,1-13H2.
What are the key properties of 2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol?
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol has a molecular weight of 241.38 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 62021526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).