N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine

C13H24N2O — CID 103069332

IUPACN-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCC(OC)CC1
InChIInChI=1S/C13H24N2O/c1-11(9-14-12-3-4-12)10-15-7-5-13(16-2)6-8-15/h12-14H,1,3-10H2,2H3
InChIKeyOLQVYSKPPHGKSQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds6

About N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103069332) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
PubChem CID103069332
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCC(OC)CC1
InChIInChI=1S/C13H24N2O/c1-11(9-14-12-3-4-12)10-15-7-5-13(16-2)6-8-15/h12-14H,1,3-10H2,2H3
InChIKeyOLQVYSKPPHGKSQ-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]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-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43770798
N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43771254
1-(3-methylbut-2-enyl)-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 43771390
N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine
CID 55075035
N-ethyl-2-methyl-N-(3-piperidin-4-yloxypropyl)prop-2-en-1-amine
CID 55251959
N-[3-(4-methoxypiperidin-1-yl)propyl]cyclopropanamine
CID 60868564
N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine
CID 61217221
N-(3-methoxy-2-methylpropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61979353
N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
CID 62256366
N-[3-(4-methoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
CID 62261828

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine (CID 103069332) is N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CN1CCC(OC)CC1.
What is the InChIKey of N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is OLQVYSKPPHGKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(9-14-12-3-4-12)10-15-7-5-13(16-2)6-8-15/h12-14H,1,3-10H2,2H3.
What are the key properties of N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103069332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).