N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol

C23H31FN2O3 — CID 142235239

IUPACN-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol
SMILESO=CNc1ccc(F)cc1.OCCCCN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C16H25NO2.C7H6FNO/c18-13-5-4-10-17-11-8-16(9-12-17)19-14-15-6-2-1-3-7-15;8-6-1-3-7(4-2-6)9-5-10/h1-3,6-7,16,18H,4-5,8-14H2;1-5H,(H,9,10)
InChIKeyYFEAIXRFHDBGGM-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.83
Rot. Bonds9

About N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol

N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol (PubChem CID 142235239) has the molecular formula C23H31FN2O3 and a molecular weight of 402.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound NameN-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol
PubChem CID142235239
Molecular FormulaC23H31FN2O3
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC NameN-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol
SMILESO=CNc1ccc(F)cc1.OCCCCN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C16H25NO2.C7H6FNO/c18-13-5-4-10-17-11-8-16(9-12-17)19-14-15-6-2-1-3-7-15;8-6-1-3-7(4-2-6)9-5-10/h1-3,6-7,16,18H,4-5,8-14H2;1-5H,(H,9,10)
InChIKeyYFEAIXRFHDBGGM-UHFFFAOYSA-N
XLogP3.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-[4-(4-phenylmethoxypiperidin-1-yl)butyl]benzoic acid
CID 68881467
1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine
CID 112804427
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-1-ol
CID 111381858
N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide
CID 55482829
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde
CID 131071412
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide
CID 124590924
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine
CID 10137339

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol?
The IUPAC name of N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol (CID 142235239) is N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol.
What is the SMILES notation for N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol?
The canonical SMILES for N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol is O=CNc1ccc(F)cc1.OCCCCN1CCC(OCc2ccccc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol?
The InChIKey is YFEAIXRFHDBGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.C7H6FNO/c18-13-5-4-10-17-11-8-16(9-12-17)19-14-15-6-2-1-3-7-15;8-6-1-3-7(4-2-6)9-5-10/h1-3,6-7,16,18H,4-5,8-14H2;1-5H,(H,9,10).
What are the key properties of N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol?
N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol has a molecular weight of 402.51 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)formamide;4-(4-phenylmethoxypiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 142235239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).