1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide

C15H22FN2O3+ — CID 6926827

IUPAC1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O3/c16-12-1-3-14(4-2-12)21-10-13(19)9-18-7-5-11(6-8-18)15(17)20/h1-4,11,13,19H,5-10H2,(H2,17,20)/p+1/t13-/m0/s1
InChIKeyAPNHGIFLEPTXPM-ZDUSSCGKSA-O
MW297.35 g/mol
LogP-0.65
Rot. Bonds6

About 1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide

1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide (PubChem CID 6926827) has the molecular formula C15H22FN2O3+ and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
PubChem CID6926827
Molecular FormulaC15H22FN2O3+
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O3/c16-12-1-3-14(4-2-12)21-10-13(19)9-18-7-5-11(6-8-18)15(17)20/h1-4,11,13,19H,5-10H2,(H2,17,20)/p+1/t13-/m0/s1
InChIKeyAPNHGIFLEPTXPM-ZDUSSCGKSA-O
XLogP-0.65
TPSA76.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol
CID 7329915
ethyl 1-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidin-1-ium-4-carboxylate
CID 6977814
1-[(2R)-2-hydroxy-3-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxypropyl]piperidin-1-ium-4-carboxamide
CID 2345881
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
N-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide
CID 7166476
methyl 4-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate
CID 7165734
1-[(2R)-2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidin-1-ium-4-carboxamide
CID 6926944
(2R)-1-(4-bromophenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol
CID 7165638
(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-phenoxypropan-2-ol
CID 2086460
(2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 7125007
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
ethyl 1-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate
CID 7124046

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide (CID 6926827) is 1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide?
The InChIKey is APNHGIFLEPTXPM-ZDUSSCGKSA-O. The full InChI is InChI=1S/C15H21FN2O3/c16-12-1-3-14(4-2-12)21-10-13(19)9-18-7-5-11(6-8-18)15(17)20/h1-4,11,13,19H,5-10H2,(H2,17,20)/p+1/t13-/m0/s1.
What are the key properties of 1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide?
1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide has a molecular weight of 297.35 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 6926827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).