4-benzyl-1-(1-propylpiperidin-4-yl)piperidine

C20H32N2 — CID 1378402

IUPAC4-benzyl-1-(1-propylpiperidin-4-yl)piperidine
SMILESCCCN1CCC(N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H32N2/c1-2-12-21-13-10-20(11-14-21)22-15-8-19(9-16-22)17-18-6-4-3-5-7-18/h3-7,19-20H,2,8-17H2,1H3
InChIKeyZAXRDRXDFPRGGR-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.82
Rot. Bonds5

About 4-benzyl-1-(1-propylpiperidin-4-yl)piperidine

4-benzyl-1-(1-propylpiperidin-4-yl)piperidine (PubChem CID 1378402) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 4-benzyl-1-(1-propylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(1-propylpiperidin-4-yl)piperidine
PubChem CID1378402
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name4-benzyl-1-(1-propylpiperidin-4-yl)piperidine
SMILESCCCN1CCC(N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H32N2/c1-2-12-21-13-10-20(11-14-21)22-15-8-19(9-16-22)17-18-6-4-3-5-7-18/h3-7,19-20H,2,8-17H2,1H3
InChIKeyZAXRDRXDFPRGGR-UHFFFAOYSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(1-propylpiperidin-4-yl)piperidine?
The IUPAC name of 4-benzyl-1-(1-propylpiperidin-4-yl)piperidine (CID 1378402) is 4-benzyl-1-(1-propylpiperidin-4-yl)piperidine.
What is the SMILES notation for 4-benzyl-1-(1-propylpiperidin-4-yl)piperidine?
The canonical SMILES for 4-benzyl-1-(1-propylpiperidin-4-yl)piperidine is CCCN1CCC(N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-benzyl-1-(1-propylpiperidin-4-yl)piperidine?
The InChIKey is ZAXRDRXDFPRGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-12-21-13-10-20(11-14-21)22-15-8-19(9-16-22)17-18-6-4-3-5-7-18/h3-7,19-20H,2,8-17H2,1H3.
What are the key properties of 4-benzyl-1-(1-propylpiperidin-4-yl)piperidine?
4-benzyl-1-(1-propylpiperidin-4-yl)piperidine has a molecular weight of 300.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(1-propylpiperidin-4-yl)piperidine is sourced from PubChem (CID 1378402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).