N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine

C13H26N2O — CID 62422445

IUPACN-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
SMILESCOC1CCN(CCCCNC2CC2)CC1
InChIInChI=1S/C13H26N2O/c1-16-13-6-10-15(11-7-13)9-3-2-8-14-12-4-5-12/h12-14H,2-11H2,1H3
InChIKeyVXVSHCLMJWAROI-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds7

About N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine

N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine (PubChem CID 62422445) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
PubChem CID62422445
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
SMILESCOC1CCN(CCCCNC2CC2)CC1
InChIInChI=1S/C13H26N2O/c1-16-13-6-10-15(11-7-13)9-3-2-8-14-12-4-5-12/h12-14H,2-11H2,1H3
InChIKeyVXVSHCLMJWAROI-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine 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

N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104530558
N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 79184231
1-butyl-4-methoxypiperidine
CID 58602973
4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 104530252
N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine
CID 62972668
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
CID 114413385

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine (CID 62422445) is N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine is COC1CCN(CCCCNC2CC2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine?
The InChIKey is VXVSHCLMJWAROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-13-6-10-15(11-7-13)9-3-2-8-14-12-4-5-12/h12-14H,2-11H2,1H3.
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine?
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 62422445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).