N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine

C17H27FN2O — CID 102877030

IUPACN-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(CN2CCC(CNC(C)C)CC2)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-13(2)19-11-14-6-8-20(9-7-14)12-15-4-5-16(21-3)10-17(15)18/h4-5,10,13-14,19H,6-9,11-12H2,1-3H3
InChIKeyPGUVORRWRHLCFL-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.04
Rot. Bonds6

About N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine

N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 102877030) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID102877030
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(CN2CCC(CNC(C)C)CC2)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-13(2)19-11-14-6-8-20(9-7-14)12-15-4-5-16(21-3)10-17(15)18/h4-5,10,13-14,19H,6-9,11-12H2,1-3H3
InChIKeyPGUVORRWRHLCFL-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593627
4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104792411
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
CID 102875898
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210587
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114849863
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 102879444
methyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 102878542
(3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 26317541

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine (CID 102877030) is N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine is COc1ccc(CN2CCC(CNC(C)C)CC2)c(F)c1.
What is the InChIKey of N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is PGUVORRWRHLCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-13(2)19-11-14-6-8-20(9-7-14)12-15-4-5-16(21-3)10-17(15)18/h4-5,10,13-14,19H,6-9,11-12H2,1-3H3.
What are the key properties of N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 294.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 102877030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).