N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine

C28H33FN2 — CID 10788074

IUPACN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine
SMILESCN(CC1CCN(Cc2ccc(F)cc2)CC1)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33FN2/c1-30(22-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26)20-24-16-18-31(19-17-24)21-23-12-14-27(29)15-13-23/h2-15,24,28H,16-22H2,1H3
InChIKeyHPACYBRVSCXHGD-UHFFFAOYSA-N
MW416.58 g/mol
LogP5.80
Rot. Bonds8

About N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine

N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine (PubChem CID 10788074) has the molecular formula C28H33FN2 and a molecular weight of 416.58 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine
PubChem CID10788074
Molecular FormulaC28H33FN2
Molecular Weight416.58 g/mol
Exact Mass416.26
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine
SMILESCN(CC1CCN(Cc2ccc(F)cc2)CC1)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33FN2/c1-30(22-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26)20-24-16-18-31(19-17-24)21-23-12-14-27(29)15-13-23/h2-15,24,28H,16-22H2,1H3
InChIKeyHPACYBRVSCXHGD-UHFFFAOYSA-N
XLogP5.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.58
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phencyclidine
CID 6468
Cinnarizine
CID 1547484
Cyclizine
CID 6726
Flunarizine
CID 941361
Flunarizine Hydrochloride
CID 5282407
Cyclizine Hydrochloride
CID 6420019
Tribenzylamine
CID 24321
1-(Diphenylmethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2761
(E)-1-Benzhydryl-4-cinnamylpiperazine
CID 1615336
MT-45
CID 431865
Piperidine, 1-(4-methyl-1-phenylcyclohexyl)-, TR
CID 210766
1-Tritylpiperidine
CID 15372344

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine (CID 10788074) is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine is CN(CC1CCN(Cc2ccc(F)cc2)CC1)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine?
The InChIKey is HPACYBRVSCXHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2/c1-30(22-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26)20-24-16-18-31(19-17-24)21-23-12-14-27(29)15-13-23/h2-15,24,28H,16-22H2,1H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine?
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine has a molecular weight of 416.58 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyl-2,2-diphenylethanamine is sourced from PubChem (CID 10788074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).