N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine

C21H28FN2P — CID 144677999

IUPACN-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine
SMILESFc1ccc(CC2CCCCN2CNCc2ccc(CP)cc2)cc1
InChIInChI=1S/C21H28FN2P/c22-20-10-8-17(9-11-20)13-21-3-1-2-12-24(21)16-23-14-18-4-6-19(15-25)7-5-18/h4-11,21,23H,1-3,12-16,25H2
InChIKeyHPBUJUSUBJXOHC-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.35
Rot. Bonds7

About N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine

N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine (PubChem CID 144677999) has the molecular formula C21H28FN2P and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine
PubChem CID144677999
Molecular FormulaC21H28FN2P
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine
SMILESFc1ccc(CC2CCCCN2CNCc2ccc(CP)cc2)cc1
InChIInChI=1S/C21H28FN2P/c22-20-10-8-17(9-11-20)13-21-3-1-2-12-24(21)16-23-14-18-4-6-19(15-25)7-5-18/h4-11,21,23H,1-3,12-16,25H2
InChIKeyHPBUJUSUBJXOHC-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine
CID 70113962
2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916095
2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 18621618
2-[(4-fluorophenyl)methyl]-1-[(1-phenylimidazol-4-yl)methyl]piperidine;dihydrochloride
CID 19598354
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899075
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-methylacetamide
CID 18933418
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021052
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine (CID 144677999) is N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine is Fc1ccc(CC2CCCCN2CNCc2ccc(CP)cc2)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine?
The InChIKey is HPBUJUSUBJXOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN2P/c22-20-10-8-17(9-11-20)13-21-3-1-2-12-24(21)16-23-14-18-4-6-19(15-25)7-5-18/h4-11,21,23H,1-3,12-16,25H2.
What are the key properties of N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine?
N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine has a molecular weight of 358.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-[4-(phosphanylmethyl)phenyl]methanamine is sourced from PubChem (CID 144677999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).