1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine

C19H30N2O — CID 56678520

IUPAC1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine
SMILESc1cc(N2CCCCC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C19H30N2O/c1-3-12-20(13-4-1)14-7-17-22-19-10-8-18(9-11-19)21-15-5-2-6-16-21/h8-11H,1-7,12-17H2
InChIKeyUBMOUNGQOGVEEQ-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.93
Rot. Bonds6

About 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine

1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine (PubChem CID 56678520) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine
PubChem CID56678520
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine
SMILESc1cc(N2CCCCC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C19H30N2O/c1-3-12-20(13-4-1)14-7-17-22-19-10-8-18(9-11-19)21-15-5-2-6-16-21/h8-11H,1-7,12-17H2
InChIKeyUBMOUNGQOGVEEQ-UHFFFAOYSA-N
XLogP3.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine 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-(4-Methoxyphenyl)piperazine
CID 269722
Samelisant
CID 60151477
N,N-Diethyl-m-phenetidine
CID 74625
Piperazine, 1-(3-phenoxypropyl)-4-phenyl-
CID 3050372
Cyanoethyl-4-phenetidine
CID 152647
1-(4-Phenoxyphenyl)piperazine
CID 3017356
1-[4-(4-Iodophenoxy)phenyl]piperazine
CID 16039611
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(4-(4-Methoxyphenyl)piperazin-1-yl)ethanone
CID 831828
3-Methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one
CID 141419107
1-[4-(1-Cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one
CID 162653341
4-Methoxy-N,N-dimethylbenzenamine
CID 69700

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine (CID 56678520) is 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine is c1cc(N2CCCCC2)ccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine?
The InChIKey is UBMOUNGQOGVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-12-20(13-4-1)14-7-17-22-19-10-8-18(9-11-19)21-15-5-2-6-16-21/h8-11H,1-7,12-17H2.
What are the key properties of 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine?
1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine has a molecular weight of 302.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-piperidin-1-ylphenoxy)propyl]piperidine is sourced from PubChem (CID 56678520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).