1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine

C20H41N3O — CID 176568970

IUPAC1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC(C)OCCCCCN1CCN(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H41N3O/c1-18(2)22-11-8-20(9-12-22)23-15-13-21(14-16-23)10-6-5-7-17-24-19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyBQBSZEHSSHIWCU-UHFFFAOYSA-N
MW339.57 g/mol
LogP3.07
Rot. Bonds9

About 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine

1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine (PubChem CID 176568970) has the molecular formula C20H41N3O and a molecular weight of 339.57 g/mol. Its IUPAC name is 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine
PubChem CID176568970
Molecular FormulaC20H41N3O
Molecular Weight339.57 g/mol
Exact Mass339.32
IUPAC Name1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC(C)OCCCCCN1CCN(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H41N3O/c1-18(2)22-11-8-20(9-12-22)23-15-13-21(14-16-23)10-6-5-7-17-24-19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyBQBSZEHSSHIWCU-UHFFFAOYSA-N
XLogP3.07
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 166118536
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
1-(6-propan-2-yloxyhexyl)piperazine
CID 148670601
4-(3-propan-2-yloxyazetidin-1-yl)-1-(2-propan-2-yloxyethyl)piperidine
CID 153436866
1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 146498238
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
CID 166128107
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine (CID 176568970) is 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine is CC(C)OCCCCCN1CCN(C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The InChIKey is BQBSZEHSSHIWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O/c1-18(2)22-11-8-20(9-12-22)23-15-13-21(14-16-23)10-6-5-7-17-24-19(3)4/h18-20H,5-17H2,1-4H3.
What are the key properties of 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine has a molecular weight of 339.57 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 176568970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).