3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine

C15H25N3O — CID 79733015

IUPAC3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine
SMILESCC(c1ccncc1)N1CCC(OCCCN)CC1
InChIInChI=1S/C15H25N3O/c1-13(14-3-8-17-9-4-14)18-10-5-15(6-11-18)19-12-2-7-16/h3-4,8-9,13,15H,2,5-7,10-12,16H2,1H3
InChIKeyKESJYXCOXHSLLM-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.97
Rot. Bonds6

About 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79733015) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79733015
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine
SMILESCC(c1ccncc1)N1CCC(OCCCN)CC1
InChIInChI=1S/C15H25N3O/c1-13(14-3-8-17-9-4-14)18-10-5-15(6-11-18)19-12-2-7-16/h3-4,8-9,13,15H,2,5-7,10-12,16H2,1H3
InChIKeyKESJYXCOXHSLLM-UHFFFAOYSA-N
XLogP1.97
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine 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

4-[1-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]benzonitrile
CID 79736036
3-[1-[1-(2-bromophenyl)ethyl]piperidin-4-yl]oxypropan-1-amine
CID 79732026
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79733009
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
3-[1-[1-(furan-2-yl)propyl]piperidin-4-yl]oxypropan-1-amine
CID 79732715
propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate
CID 20754611
5-ethyl-1-(1-pyridin-4-ylethyl)-1,4-diazepane
CID 54972784
2-[4-(3-aminopropoxy)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 79735407
3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 79735589
2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide
CID 79736765

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine (CID 79733015) is 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine is CC(c1ccncc1)N1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is KESJYXCOXHSLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(14-3-8-17-9-4-14)18-10-5-15(6-11-18)19-12-2-7-16/h3-4,8-9,13,15H,2,5-7,10-12,16H2,1H3.
What are the key properties of 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79733015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).