1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine

C17H34N4 — CID 129200316

IUPAC1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine
SMILESCN1CCC(CN2CCN(CCN3CCCCC3)CC2)C1
InChIInChI=1S/C17H34N4/c1-18-8-5-17(15-18)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h17H,2-16H2,1H3
InChIKeyPKTWSZMKADGIIA-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.04
Rot. Bonds5

About 1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine

1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine (PubChem CID 129200316) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine
PubChem CID129200316
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine
SMILESCN1CCC(CN2CCN(CCN3CCCCC3)CC2)C1
InChIInChI=1S/C17H34N4/c1-18-8-5-17(15-18)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h17H,2-16H2,1H3
InChIKeyPKTWSZMKADGIIA-UHFFFAOYSA-N
XLogP1.04
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine?
The IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine (CID 129200316) is 1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine.
What is the SMILES notation for 1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine?
The canonical SMILES for 1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine is CN1CCC(CN2CCN(CCN3CCCCC3)CC2)C1.
What is the InChIKey of 1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine?
The InChIKey is PKTWSZMKADGIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-18-8-5-17(15-18)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h17H,2-16H2,1H3.
What are the key properties of 1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine?
1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine has a molecular weight of 294.49 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine is sourced from PubChem (CID 129200316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).