N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine

C23H32FN5 — CID 167986964

IUPACN-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
SMILESCN(Cc1cnc(-c2cc(CN3CCCC3)ccc2F)cn1)CC1CCNCC1
InChIInChI=1S/C23H32FN5/c1-28(15-18-6-8-25-9-7-18)17-20-13-27-23(14-26-20)21-12-19(4-5-22(21)24)16-29-10-2-3-11-29/h4-5,12-14,18,25H,2-3,6-11,15-17H2,1H3
InChIKeyXLYQDYMQKXFEOH-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.31
Rot. Bonds7

About N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine

N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine (PubChem CID 167986964) has the molecular formula C23H32FN5 and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
PubChem CID167986964
Molecular FormulaC23H32FN5
Molecular Weight397.54 g/mol
Exact Mass397.26
IUPAC NameN-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
SMILESCN(Cc1cnc(-c2cc(CN3CCCC3)ccc2F)cn1)CC1CCNCC1
InChIInChI=1S/C23H32FN5/c1-28(15-18-6-8-25-9-7-18)17-20-13-27-23(14-26-20)21-12-19(4-5-22(21)24)16-29-10-2-3-11-29/h4-5,12-14,18,25H,2-3,6-11,15-17H2,1H3
InChIKeyXLYQDYMQKXFEOH-UHFFFAOYSA-N
XLogP3.31
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine with MolForge

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride
CID 146064794
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 71642488
N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717100
4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716463
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
CID 45243649
1-[(4-fluoro-3-phenylphenyl)methyl]piperazine
CID 117429281
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine (CID 167986964) is N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine is CN(Cc1cnc(-c2cc(CN3CCCC3)ccc2F)cn1)CC1CCNCC1.
What is the InChIKey of N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The InChIKey is XLYQDYMQKXFEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5/c1-28(15-18-6-8-25-9-7-18)17-20-13-27-23(14-26-20)21-12-19(4-5-22(21)24)16-29-10-2-3-11-29/h4-5,12-14,18,25H,2-3,6-11,15-17H2,1H3.
What are the key properties of N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine?
N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine has a molecular weight of 397.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 167986964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).