N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine

C14H22FN3 — CID 115238410

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
SMILESCN(Cc1ccc(F)cc1)CC1CNCCN1C
InChIInChI=1S/C14H22FN3/c1-17(10-12-3-5-13(15)6-4-12)11-14-9-16-7-8-18(14)2/h3-6,14,16H,7-11H2,1-2H3
InChIKeyJTYGUFHBWVLAEE-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.16
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine

N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine (PubChem CID 115238410) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
PubChem CID115238410
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
SMILESCN(Cc1ccc(F)cc1)CC1CNCCN1C
InChIInChI=1S/C14H22FN3/c1-17(10-12-3-5-13(15)6-4-12)11-14-9-16-7-8-18(14)2/h3-6,14,16H,7-11H2,1-2H3
InChIKeyJTYGUFHBWVLAEE-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238418
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238409
N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115239656
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine
CID 114085144
N-ethyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 83828882
N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine
CID 139528374
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238305
5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238312
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine (CID 115238410) is N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine is CN(Cc1ccc(F)cc1)CC1CNCCN1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is JTYGUFHBWVLAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17(10-12-3-5-13(15)6-4-12)11-14-9-16-7-8-18(14)2/h3-6,14,16H,7-11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 251.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 115238410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).