N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine

C19H24FN3O — CID 141082230

IUPACN-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine
SMILESFC1(CNCc2ccc(OCc3ccccc3)cn2)CCNCC1
InChIInChI=1S/C19H24FN3O/c20-19(8-10-21-11-9-19)15-22-12-17-6-7-18(13-23-17)24-14-16-4-2-1-3-5-16/h1-7,13,21-22H,8-12,14-15H2
InChIKeyLYEGWGKHKXUGMU-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.84
Rot. Bonds7

About N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine

N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine (PubChem CID 141082230) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine
PubChem CID141082230
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine
SMILESFC1(CNCc2ccc(OCc3ccccc3)cn2)CCNCC1
InChIInChI=1S/C19H24FN3O/c20-19(8-10-21-11-9-19)15-22-12-17-6-7-18(13-23-17)24-14-16-4-2-1-3-5-16/h1-7,13,21-22H,8-12,14-15H2
InChIKeyLYEGWGKHKXUGMU-UHFFFAOYSA-N
XLogP2.84
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride
CID 68863193
(5S)-5-[[4-[2-[(5-phenylmethoxy-2-pyridinyl)methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 98005992
N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775715
4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride
CID 67462249
2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 23130752
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 105402630
4-[(pyridin-2-ylmethylamino)methyl]piperidin-4-ol
CID 82286679
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione
CID 58981828
4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol
CID 166305816
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine?
The IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine (CID 141082230) is N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine?
The canonical SMILES for N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine is FC1(CNCc2ccc(OCc3ccccc3)cn2)CCNCC1.
What is the InChIKey of N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine?
The InChIKey is LYEGWGKHKXUGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c20-19(8-10-21-11-9-19)15-22-12-17-6-7-18(13-23-17)24-14-16-4-2-1-3-5-16/h1-7,13,21-22H,8-12,14-15H2.
What are the key properties of N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine?
N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine has a molecular weight of 329.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 141082230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).