3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol

C14H29N3O — CID 82892128

IUPAC3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCN1CCN(CCN2CCCC2CCCO)CC1
InChIInChI=1S/C14H29N3O/c1-15-7-9-16(10-8-15)11-12-17-6-2-4-14(17)5-3-13-18/h14,18H,2-13H2,1H3
InChIKeyPRBZEMQSNSSYDF-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.47
Rot. Bonds6

About 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 82892128) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID82892128
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCN1CCN(CCN2CCCC2CCCO)CC1
InChIInChI=1S/C14H29N3O/c1-15-7-9-16(10-8-15)11-12-17-6-2-4-14(17)5-3-13-18/h14,18H,2-13H2,1H3
InChIKeyPRBZEMQSNSSYDF-UHFFFAOYSA-N
XLogP0.47
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 82892304
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62468873
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111103101
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol (CID 82892128) is 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol is CN1CCN(CCN2CCCC2CCCO)CC1.
What is the InChIKey of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is PRBZEMQSNSSYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-15-7-9-16(10-8-15)11-12-17-6-2-4-14(17)5-3-13-18/h14,18H,2-13H2,1H3.
What are the key properties of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 255.41 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 82892128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).