N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

C17H27FN2 — CID 107453780

IUPACN-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCC1CCCN(Cc2cc(CNC(C)C)ccc2F)C1
InChIInChI=1S/C17H27FN2/c1-13(2)19-10-15-6-7-17(18)16(9-15)12-20-8-4-5-14(3)11-20/h6-7,9,13-14,19H,4-5,8,10-12H2,1-3H3
InChIKeyJHONXRWVNPVIBQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.56
Rot. Bonds5

About N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 107453780) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID107453780
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCC1CCCN(Cc2cc(CNC(C)C)ccc2F)C1
InChIInChI=1S/C17H27FN2/c1-13(2)19-10-15-6-7-17(18)16(9-15)12-20-8-4-5-14(3)11-20/h6-7,9,13-14,19H,4-5,8,10-12H2,1-3H3
InChIKeyJHONXRWVNPVIBQ-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine 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-fluoro-3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-2-amine
CID 107453794
N-[[4-fluoro-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]propan-2-amine
CID 107454933
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105346519
1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453653
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923
N-[[3-bromo-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 102768872
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
1-[4-fluoro-3-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 107455791
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
CID 62491870
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 107453780) is N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is CC1CCCN(Cc2cc(CNC(C)C)ccc2F)C1.
What is the InChIKey of N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is JHONXRWVNPVIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)19-10-15-6-7-17(18)16(9-15)12-20-8-4-5-14(3)11-20/h6-7,9,13-14,19H,4-5,8,10-12H2,1-3H3.
What are the key properties of N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107453780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).