1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine

C26H44N4O — CID 51000894

IUPAC1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine
SMILESCOCCCN1CCN(C(CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1
InChIInChI=1S/C26H44N4O/c1-31-22-8-13-27-18-20-30(21-19-27)26(24-9-4-2-5-10-24)23-28-16-11-25(12-17-28)29-14-6-3-7-15-29/h2,4-5,9-10,25-26H,3,6-8,11-23H2,1H3
InChIKeyFUGVSZPBMHSPEJ-UHFFFAOYSA-N
MW428.67 g/mol
LogP3.33
Rot. Bonds9

About 1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine

1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine (PubChem CID 51000894) has the molecular formula C26H44N4O and a molecular weight of 428.67 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine
PubChem CID51000894
Molecular FormulaC26H44N4O
Molecular Weight428.67 g/mol
Exact Mass428.35
IUPAC Name1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine
SMILESCOCCCN1CCN(C(CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1
InChIInChI=1S/C26H44N4O/c1-31-22-8-13-27-18-20-30(21-19-27)26(24-9-4-2-5-10-24)23-28-16-11-25(12-17-28)29-14-6-3-7-15-29/h2,4-5,9-10,25-26H,3,6-8,11-23H2,1H3
InChIKeyFUGVSZPBMHSPEJ-UHFFFAOYSA-N
XLogP3.33
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine (CID 51000894) is 1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine is COCCCN1CCN(C(CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1.
What is the InChIKey of 1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine?
The InChIKey is FUGVSZPBMHSPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N4O/c1-31-22-8-13-27-18-20-30(21-19-27)26(24-9-4-2-5-10-24)23-28-16-11-25(12-17-28)29-14-6-3-7-15-29/h2,4-5,9-10,25-26H,3,6-8,11-23H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine?
1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine has a molecular weight of 428.67 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-[1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 51000894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).