1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine

C14H29N3 — CID 83074639

IUPAC1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine
SMILESCCC1(CN2CCN(C(C)C)CC2)CCCN1
InChIInChI=1S/C14H29N3/c1-4-14(6-5-7-15-14)12-16-8-10-17(11-9-16)13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyMVTYRGOALACLKR-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds4

About 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine

1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine (PubChem CID 83074639) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine
PubChem CID83074639
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine
SMILESCCC1(CN2CCN(C(C)C)CC2)CCCN1
InChIInChI=1S/C14H29N3/c1-4-14(6-5-7-15-14)12-16-8-10-17(11-9-16)13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyMVTYRGOALACLKR-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine (CID 83074639) is 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine is CCC1(CN2CCN(C(C)C)CC2)CCCN1.
What is the InChIKey of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is MVTYRGOALACLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-14(6-5-7-15-14)12-16-8-10-17(11-9-16)13(2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine?
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 83074639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).