1-(3-methoxypropyl)piperidin-4-amine;hydrochloride

C9H21ClN2O — CID 141311767

IUPAC1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
SMILESCOCCCN1CCC(N)CC1.Cl
InChIInChI=1S/C9H20N2O.ClH/c1-12-8-2-5-11-6-3-9(10)4-7-11;/h9H,2-8,10H2,1H3;1H
InChIKeyFTJCKXCXCLFGKA-UHFFFAOYSA-N
MW208.73 g/mol
LogP0.87
Rot. Bonds4

About 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride

1-(3-methoxypropyl)piperidin-4-amine;hydrochloride (PubChem CID 141311767) has the molecular formula C9H21ClN2O and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
PubChem CID141311767
Molecular FormulaC9H21ClN2O
Molecular Weight208.73 g/mol
Exact Mass208.13
IUPAC Name1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
SMILESCOCCCN1CCC(N)CC1.Cl
InChIInChI=1S/C9H20N2O.ClH/c1-12-8-2-5-11-6-3-9(10)4-7-11;/h9H,2-8,10H2,1H3;1H
InChIKeyFTJCKXCXCLFGKA-UHFFFAOYSA-N
XLogP0.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride 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-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552987
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine
CID 79327540
4-iodo-1-(3-methoxypropyl)piperidine
CID 166738892
[1-(3-methoxypropyl)piperidin-4-yl] hypoiodite
CID 156546516
2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile
CID 117003584
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride (CID 141311767) is 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride is COCCCN1CCC(N)CC1.Cl.
What is the InChIKey of 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride?
The InChIKey is FTJCKXCXCLFGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.ClH/c1-12-8-2-5-11-6-3-9(10)4-7-11;/h9H,2-8,10H2,1H3;1H.
What are the key properties of 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride?
1-(3-methoxypropyl)piperidin-4-amine;hydrochloride has a molecular weight of 208.73 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 141311767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).