1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine

C13H27N3 — CID 135208810

IUPAC1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCCCN1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C13H27N3/c1-2-5-14-8-11-16(12-9-14)13-10-15-6-3-4-7-15/h2-13H2,1H3
InChIKeySPQPSLBEIMMYOU-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.11
Rot. Bonds5

About 1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine

1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 135208810) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
PubChem CID135208810
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCCCN1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C13H27N3/c1-2-5-14-8-11-16(12-9-14)13-10-15-6-3-4-7-15/h2-13H2,1H3
InChIKeySPQPSLBEIMMYOU-UHFFFAOYSA-N
XLogP1.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propylpyrrolidine;hydrobromide
CID 173024709
methanol;1-propylpiperidine
CID 171515121
prop-1-ene;1-propylpyrrolidine
CID 143531885
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
butane;2-methylbutane;1-propylpyrrolidine
CID 161374210
tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)
CID 173154701
piperidine;1-propylpiperidine
CID 67843364
1-(2-methoxyethyl)-4-propyl-1,4-diazepane
CID 157028655
1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine
CID 142420911
1-propyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 176694162
methanamine;4-propyl-1,4-oxazepane
CID 169188972
1-[2-(azetidin-1-yl)ethyl]azetidine
CID 130845040

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine?
The IUPAC name of 1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine (CID 135208810) is 1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine.
What is the SMILES notation for 1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine?
The canonical SMILES for 1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine is CCCN1CCN(CCN2CCCC2)CC1.
What is the InChIKey of 1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine?
The InChIKey is SPQPSLBEIMMYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-5-14-8-11-16(12-9-14)13-10-15-6-3-4-7-15/h2-13H2,1H3.
What are the key properties of 1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine?
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 225.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 135208810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).