1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine

C21H28FN3 — CID 42522169

IUPAC1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
SMILESCN(Cc1ccncc1)C[C@H]1CCCN(CCc2ccccc2F)C1
InChIInChI=1S/C21H28FN3/c1-24(15-18-8-11-23-12-9-18)16-19-5-4-13-25(17-19)14-10-20-6-2-3-7-21(20)22/h2-3,6-9,11-12,19H,4-5,10,13-17H2,1H3/t19-/m1/s1
InChIKeyGULZGAYLUZLDOY-LJQANCHMSA-N
MW341.47 g/mol
LogP3.61
Rot. Bonds7

About 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine

1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 42522169) has the molecular formula C21H28FN3 and a molecular weight of 341.47 g/mol. Its IUPAC name is 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
PubChem CID42522169
Molecular FormulaC21H28FN3
Molecular Weight341.47 g/mol
Exact Mass341.23
IUPAC Name1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
SMILESCN(Cc1ccncc1)C[C@H]1CCCN(CCc2ccccc2F)C1
InChIInChI=1S/C21H28FN3/c1-24(15-18-8-11-23-12-9-18)16-19-5-4-13-25(17-19)14-10-20-6-2-3-7-21(20)22/h2-3,6-9,11-12,19H,4-5,10,13-17H2,1H3/t19-/m1/s1
InChIKeyGULZGAYLUZLDOY-LJQANCHMSA-N
XLogP3.61
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine 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-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(4-pyrimidin-2-yloxyphenyl)methyl]methanamine
CID 42383723
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42100663
1-[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 97281987
1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-N-methylmethanamine
CID 45209714
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one
CID 72877232
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 25278684
N-(1,3-benzodioxol-4-ylmethyl)-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 45182470
N-[(2,4-difluorophenyl)methyl]-1-[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42392291
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,3-trimethylbenzamide
CID 42195502

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine (CID 42522169) is 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine is CN(Cc1ccncc1)C[C@H]1CCCN(CCc2ccccc2F)C1.
What is the InChIKey of 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is GULZGAYLUZLDOY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28FN3/c1-24(15-18-8-11-23-12-9-18)16-19-5-4-13-25(17-19)14-10-20-6-2-3-7-21(20)22/h2-3,6-9,11-12,19H,4-5,10,13-17H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine?
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 341.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 42522169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).