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

C24H33FN4 — CID 45215511

IUPAC1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine
SMILESCN(C1CCN(Cc2cccnc2)CC1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C24H33FN4/c1-27(22-10-14-28(15-11-22)17-20-6-4-12-26-16-20)23-8-5-13-29(19-23)18-21-7-2-3-9-24(21)25/h2-4,6-7,9,12,16,22-23H,5,8,10-11,13-15,17-19H2,1H3
InChIKeyYBSDRHZYYWFBIA-UHFFFAOYSA-N
MW396.55 g/mol
LogP3.78
Rot. Bonds6

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

1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine (PubChem CID 45215511) has the molecular formula C24H33FN4 and a molecular weight of 396.55 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine
PubChem CID45215511
Molecular FormulaC24H33FN4
Molecular Weight396.55 g/mol
Exact Mass396.27
IUPAC Name1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine
SMILESCN(C1CCN(Cc2cccnc2)CC1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C24H33FN4/c1-27(22-10-14-28(15-11-22)17-20-6-4-12-26-16-20)23-8-5-13-29(19-23)18-21-7-2-3-9-24(21)25/h2-4,6-7,9,12,16,22-23H,5,8,10-11,13-15,17-19H2,1H3
InChIKeyYBSDRHZYYWFBIA-UHFFFAOYSA-N
XLogP3.78
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine with MolForge

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Related Compounds

3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
CID 42293192
N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70762061
N-benzyl-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754214
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 45233057
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 45219753
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288
2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
CID 23723336
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine (CID 45215511) is 1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine is CN(C1CCN(Cc2cccnc2)CC1)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine?
The InChIKey is YBSDRHZYYWFBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4/c1-27(22-10-14-28(15-11-22)17-20-6-4-12-26-16-20)23-8-5-13-29(19-23)18-21-7-2-3-9-24(21)25/h2-4,6-7,9,12,16,22-23H,5,8,10-11,13-15,17-19H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine?
1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine has a molecular weight of 396.55 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 45215511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).