[(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate

C15H21N3O3 — CID 173100646

IUPAC[(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate
SMILESO=C(O[C@H]1CN(c2ccccc2)CCN1)N1CCCC1O
InChIInChI=1S/C15H21N3O3/c19-14-7-4-9-18(14)15(20)21-13-11-17(10-8-16-13)12-5-2-1-3-6-12/h1-3,5-6,13-14,16,19H,4,7-11H2/t13-,14?/m0/s1
InChIKeyQFCHOMZCBVZMFY-LSLKUGRBSA-N
MW291.35 g/mol
LogP0.97
Rot. Bonds2

About [(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate

[(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate (PubChem CID 173100646) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate
PubChem CID173100646
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate
SMILESO=C(O[C@H]1CN(c2ccccc2)CCN1)N1CCCC1O
InChIInChI=1S/C15H21N3O3/c19-14-7-4-9-18(14)15(20)21-13-11-17(10-8-16-13)12-5-2-1-3-6-12/h1-3,5-6,13-14,16,19H,4,7-11H2/t13-,14?/m0/s1
InChIKeyQFCHOMZCBVZMFY-LSLKUGRBSA-N
XLogP0.97
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
1-phenyl-3-(trichloromethyl)piperazine
CID 118386883
(2-phenoxyphenyl) 2-hydroxypiperidine-1-carboxylate
CID 142632527
ditert-butyl 2-(4-phenylpiperazin-2-yl)imino-1,3-diazinane-1,3-dicarboxylate
CID 21083605
(3R)-3-methyl-1-(4-phenylphenyl)piperazine
CID 58223220
2-(1-phenylpiperidin-3-yl)piperidine-1-carboxamide
CID 68930873
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
1-phenylpyrrolidin-3-ol
CID 11171152
methyl 2-(2-phenylethynyl)pyrrolidine-1-carboxylate
CID 11253195
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
pyridin-2-yl 2-hydroxypiperidine-1-carboxylate
CID 175770002
(1-phenylpiperidin-3-yl)urea
CID 121416777

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of [(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate (CID 173100646) is [(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for [(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for [(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate is O=C(O[C@H]1CN(c2ccccc2)CCN1)N1CCCC1O.
What is the InChIKey of [(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate?
The InChIKey is QFCHOMZCBVZMFY-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14-7-4-9-18(14)15(20)21-13-11-17(10-8-16-13)12-5-2-1-3-6-12/h1-3,5-6,13-14,16,19H,4,7-11H2/t13-,14?/m0/s1.
What are the key properties of [(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate?
[(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-phenylpiperazin-2-yl] 2-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 173100646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).