N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine

C15H23N3 — CID 142177188

IUPACN-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine
SMILESC=C(NCC1CCN(C)CC1)c1ccncc1C
InChIInChI=1S/C15H23N3/c1-12-10-16-7-4-15(12)13(2)17-11-14-5-8-18(3)9-6-14/h4,7,10,14,17H,2,5-6,8-9,11H2,1,3H3
InChIKeyFHRRKRNWMIMWNQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.29
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine

N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine (PubChem CID 142177188) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine
PubChem CID142177188
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine
SMILESC=C(NCC1CCN(C)CC1)c1ccncc1C
InChIInChI=1S/C15H23N3/c1-12-10-16-7-4-15(12)13(2)17-11-14-5-8-18(3)9-6-14/h4,7,10,14,17H,2,5-6,8-9,11H2,1,3H3
InChIKeyFHRRKRNWMIMWNQ-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine 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

Paraquat dichloride
CID 15938
Anabasine
CID 205586
Nornicotine
CID 91462
Pheniramine
CID 4761
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Paraquat
CID 15939
5-Ethyl-2-methylpyridine
CID 7728
Rivanicline
CID 5310967
2,4-Dimethylpyridine
CID 7936
3-Pyridinemethanamine
CID 31018
4,4'-Bipyridine
CID 11107

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine (CID 142177188) is N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine is C=C(NCC1CCN(C)CC1)c1ccncc1C.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine?
The InChIKey is FHRRKRNWMIMWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-10-16-7-4-15(12)13(2)17-11-14-5-8-18(3)9-6-14/h4,7,10,14,17H,2,5-6,8-9,11H2,1,3H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine?
N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine has a molecular weight of 245.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine is sourced from PubChem (CID 142177188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).