(2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate

C18H19NO4 — CID 142632527

IUPAC(2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate
SMILESO=C(Oc1ccccc1Oc1ccccc1)N1CCCCC1O
InChIInChI=1S/C18H19NO4/c20-17-12-6-7-13-19(17)18(21)23-16-11-5-4-10-15(16)22-14-8-2-1-3-9-14/h1-5,8-11,17,20H,6-7,12-13H2
InChIKeyNNFKWZBOTJCPTC-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.78
Rot. Bonds3

About (2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate

(2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate (PubChem CID 142632527) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name(2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate
PubChem CID142632527
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate
SMILESO=C(Oc1ccccc1Oc1ccccc1)N1CCCCC1O
InChIInChI=1S/C18H19NO4/c20-17-12-6-7-13-19(17)18(21)23-16-11-5-4-10-15(16)22-14-8-2-1-3-9-14/h1-5,8-11,17,20H,6-7,12-13H2
InChIKeyNNFKWZBOTJCPTC-UHFFFAOYSA-N
XLogP3.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl 2-hydroxypiperidine-1-carboxylate
CID 175770002
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
phenyl 2-methylpyrrolidine-1-carboxylate
CID 64593255
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
phenyl (2S)-2-methoxypyrrolidine-1-carboxylate
CID 129388318
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 63765586
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide
CID 109032793
2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
CID 68836477
2-phenoxypiperidine-1-carboxamide
CID 140622685
3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 68915779

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate?
The IUPAC name of (2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate (CID 142632527) is (2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for (2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate?
The canonical SMILES for (2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate is O=C(Oc1ccccc1Oc1ccccc1)N1CCCCC1O.
What is the InChIKey of (2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate?
The InChIKey is NNFKWZBOTJCPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-17-12-6-7-13-19(17)18(21)23-16-11-5-4-10-15(16)22-14-8-2-1-3-9-14/h1-5,8-11,17,20H,6-7,12-13H2.
What are the key properties of (2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate?
(2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 142632527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).