1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine

C16H33N3 — CID 171070413

IUPAC1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine
SMILESCCCCCN1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-3-4-5-8-18-11-13-19(14-12-18)15-16-6-9-17(2)10-7-16/h16H,3-15H2,1-2H3
InChIKeyFCSBIQTVOSEOEK-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.14
Rot. Bonds6

About 1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine

1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine (PubChem CID 171070413) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine
PubChem CID171070413
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine
SMILESCCCCCN1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-3-4-5-8-18-11-13-19(14-12-18)15-16-6-9-17(2)10-7-16/h16H,3-15H2,1-2H3
InChIKeyFCSBIQTVOSEOEK-UHFFFAOYSA-N
XLogP2.14
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine (CID 171070413) is 1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine is CCCCCN1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine?
The InChIKey is FCSBIQTVOSEOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-4-5-8-18-11-13-19(14-12-18)15-16-6-9-17(2)10-7-16/h16H,3-15H2,1-2H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine?
1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine has a molecular weight of 267.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine is sourced from PubChem (CID 171070413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).