1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine

C13H27N3 — CID 63714372

IUPAC1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC1CNCC1CN1CCN(C(C)C)CC1
InChIInChI=1S/C13H27N3/c1-11(2)16-6-4-15(5-7-16)10-13-9-14-8-12(13)3/h11-14H,4-10H2,1-3H3
InChIKeyYQSSCMLOMBTHLF-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.87
Rot. Bonds3

About 1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine

1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine (PubChem CID 63714372) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine
PubChem CID63714372
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC1CNCC1CN1CCN(C(C)C)CC1
InChIInChI=1S/C13H27N3/c1-11(2)16-6-4-15(5-7-16)10-13-9-14-8-12(13)3/h11-14H,4-10H2,1-3H3
InChIKeyYQSSCMLOMBTHLF-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine (CID 63714372) is 1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine is CC1CNCC1CN1CCN(C(C)C)CC1.
What is the InChIKey of 1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is YQSSCMLOMBTHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)16-6-4-15(5-7-16)10-13-9-14-8-12(13)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine?
1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 225.38 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 63714372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).