1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide

C14H20FN2O+ — CID 9443017

IUPAC1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide
SMILESC[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19FN2O/c1-10(11-2-4-13(15)5-3-11)17-8-6-12(7-9-17)14(16)18/h2-5,10,12H,6-9H2,1H3,(H2,16,18)/p+1/t10-/m0/s1
InChIKeyDHEKBYHFNDZXTD-JTQLQIEISA-O
MW251.33 g/mol
LogP0.67
Rot. Bonds3

About 1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide

1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide (PubChem CID 9443017) has the molecular formula C14H20FN2O+ and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide
PubChem CID9443017
Molecular FormulaC14H20FN2O+
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide
SMILESC[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19FN2O/c1-10(11-2-4-13(15)5-3-11)17-8-6-12(7-9-17)14(16)18/h2-5,10,12H,6-9H2,1H3,(H2,16,18)/p+1/t10-/m0/s1
InChIKeyDHEKBYHFNDZXTD-JTQLQIEISA-O
XLogP0.67
TPSA47.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
Ksp-IA
CID 24901494
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
1-Benzyl-4-(ethylamino)piperidine-4-carboxamide
CID 70567
1-Benzyl-4-(cyclohexylamino)piperidine-4-carboxamide
CID 70584
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
N-((1S)-3-(4-(N-ethyl-2-(4-fluorophenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590635

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide (CID 9443017) is 1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide is C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is DHEKBYHFNDZXTD-JTQLQIEISA-O. The full InChI is InChI=1S/C14H19FN2O/c1-10(11-2-4-13(15)5-3-11)17-8-6-12(7-9-17)14(16)18/h2-5,10,12H,6-9H2,1H3,(H2,16,18)/p+1/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide?
1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9443017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).