N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine

C26H29FN2O — CID 10272588

IUPACN-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine
SMILESFc1ccc(CN2CCC(CNOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H29FN2O/c27-25-13-11-22(12-14-25)20-29-17-15-21(16-18-29)19-28-30-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,28H,15-20H2
InChIKeyVXIRNZHRQNADGN-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.35
Rot. Bonds8

About N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine

N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine (PubChem CID 10272588) has the molecular formula C26H29FN2O and a molecular weight of 404.53 g/mol. Its IUPAC name is N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine
PubChem CID10272588
Molecular FormulaC26H29FN2O
Molecular Weight404.53 g/mol
Exact Mass404.23
IUPAC NameN-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine
SMILESFc1ccc(CN2CCC(CNOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H29FN2O/c27-25-13-11-22(12-14-25)20-29-17-15-21(16-18-29)19-28-30-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,28H,15-20H2
InChIKeyVXIRNZHRQNADGN-UHFFFAOYSA-N
XLogP5.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-Benzhydryloxy-ethyl)-1-(3,4-difluoro-benzyl)-piperidine
CID 10112930
4-(2-Benzhydryloxy-ethyl)-1-(3-fluoro-benzyl)-piperidine
CID 10179326
4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-piperidine
CID 10739933
4-Benzhydryloxymethyl-1-benzyl-piperidine
CID 10761755
1-Benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
[1-(2-Benzhydryloxy-ethyl)-piperidin-3-ylmethyl]-[2-(4-fluoro-phenyl)-ethyl]-amine
CID 10551367
1-Benzyl-4-[bis-(4-fluoro-phenyl)-methoxymethyl]-piperidine
CID 10573451
1-(4-Fluoro-benzyl)-4-{2-[(4-fluoro-phenyl)-phenyl-methoxy]-ethyl}-piperidine
CID 10812134
(2-Benzhydryloxy-ethyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-3-ylmethyl}-amine
CID 10837110
1-(4-Fluorobenzyl)-4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperidine
CID 11016872
3-(4-Benzhydrylpiperazin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 145953876
(E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
CID 45269525

Frequently Asked Questions

What is the IUPAC name of N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine (CID 10272588) is N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine is Fc1ccc(CN2CCC(CNOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is VXIRNZHRQNADGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O/c27-25-13-11-22(12-14-25)20-29-17-15-21(16-18-29)19-28-30-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,28H,15-20H2.
What are the key properties of N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine?
N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine has a molecular weight of 404.53 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryloxy-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 10272588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).