1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine

C14H29N3 — CID 55218735

IUPAC1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine
SMILESCCCN1CCN(CC2(CC)CCNC2)CC1
InChIInChI=1S/C14H29N3/c1-3-7-16-8-10-17(11-9-16)13-14(4-2)5-6-15-12-14/h15H,3-13H2,1-2H3
InChIKeyVMNFFISAHVGMTQ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds5

About 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine

1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine (PubChem CID 55218735) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine
PubChem CID55218735
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine
SMILESCCCN1CCN(CC2(CC)CCNC2)CC1
InChIInChI=1S/C14H29N3/c1-3-7-16-8-10-17(11-9-16)13-14(4-2)5-6-15-12-14/h15H,3-13H2,1-2H3
InChIKeyVMNFFISAHVGMTQ-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine?
The IUPAC name of 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine (CID 55218735) is 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine.
What is the SMILES notation for 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine?
The canonical SMILES for 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine is CCCN1CCN(CC2(CC)CCNC2)CC1.
What is the InChIKey of 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine?
The InChIKey is VMNFFISAHVGMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-7-16-8-10-17(11-9-16)13-14(4-2)5-6-15-12-14/h15H,3-13H2,1-2H3.
What are the key properties of 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine?
1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine is sourced from PubChem (CID 55218735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).