N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine

C15H23FN2 — CID 106624468

IUPACN-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(F)cc1)CC1CCCNC1
InChIInChI=1S/C15H23FN2/c1-2-18(12-14-4-3-9-17-10-14)11-13-5-7-15(16)8-6-13/h5-8,14,17H,2-4,9-12H2,1H3
InChIKeyNWVBOZOATQCASD-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.65
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine

N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106624468) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106624468
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(F)cc1)CC1CCCNC1
InChIInChI=1S/C15H23FN2/c1-2-18(12-14-4-3-9-17-10-14)11-13-5-7-15(16)8-6-13/h5-8,14,17H,2-4,9-12H2,1H3
InChIKeyNWVBOZOATQCASD-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine 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-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(3-chloro-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624521
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23137005
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624705
2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119929420
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (CID 106624468) is N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is CCN(Cc1ccc(F)cc1)CC1CCCNC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is NWVBOZOATQCASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-18(12-14-4-3-9-17-10-14)11-13-5-7-15(16)8-6-13/h5-8,14,17H,2-4,9-12H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106624468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).