N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine

C22H29FN2 — CID 23723586

IUPACN-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
SMILESCN(Cc1ccccc1)CC1CCCN(CCc2ccccc2F)C1
InChIInChI=1S/C22H29FN2/c1-24(16-19-8-3-2-4-9-19)17-20-10-7-14-25(18-20)15-13-21-11-5-6-12-22(21)23/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3
InChIKeyZZPFZWVEPGDDBD-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.21
Rot. Bonds7

About N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine

N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 23723586) has the molecular formula C22H29FN2 and a molecular weight of 340.49 g/mol. Its IUPAC name is N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID23723586
Molecular FormulaC22H29FN2
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC NameN-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
SMILESCN(Cc1ccccc1)CC1CCCN(CCc2ccccc2F)C1
InChIInChI=1S/C22H29FN2/c1-24(16-19-8-3-2-4-9-19)17-20-10-7-14-25(18-20)15-13-21-11-5-6-12-22(21)23/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3
InChIKeyZZPFZWVEPGDDBD-UHFFFAOYSA-N
XLogP4.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42522169
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(4-pyrimidin-2-yloxyphenyl)methyl]methanamine
CID 42383723
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-N-methylmethanamine
CID 45209714
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
2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one
CID 72877232
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N-(1,3-benzodioxol-4-ylmethyl)-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 45182470
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,3-trimethylbenzamide
CID 42195502
N-[(2,4-difluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 45242143
N-[(2,4-difluorophenyl)methyl]-1-[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42392291

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine (CID 23723586) is N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine is CN(Cc1ccccc1)CC1CCCN(CCc2ccccc2F)C1.
What is the InChIKey of N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is ZZPFZWVEPGDDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2/c1-24(16-19-8-3-2-4-9-19)17-20-10-7-14-25(18-20)15-13-21-11-5-6-12-22(21)23/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3.
What are the key properties of N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 340.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 23723586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).