prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate

C20H30N2O3 — CID 122607695

IUPACprop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(CCCc2ccccc2)C(CCCO)C1
InChIInChI=1S/C20H30N2O3/c1-2-16-25-20(24)22-14-13-21(19(17-22)11-7-15-23)12-6-10-18-8-4-3-5-9-18/h2-5,8-9,19,23H,1,6-7,10-17H2
InChIKeyUDMSNZRJRKAPJG-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.70
Rot. Bonds9

About prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate

prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate (PubChem CID 122607695) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate
PubChem CID122607695
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nameprop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(CCCc2ccccc2)C(CCCO)C1
InChIInChI=1S/C20H30N2O3/c1-2-16-25-20(24)22-14-13-21(19(17-22)11-7-15-23)12-6-10-18-8-4-3-5-9-18/h2-5,8-9,19,23H,1,6-7,10-17H2
InChIKeyUDMSNZRJRKAPJG-UHFFFAOYSA-N
XLogP2.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate
CID 23247137
5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 70737449
tert-butyl 3-(2-hydroxyethyl)-4-[3-(phenylmethoxycarbonylamino)propyl]piperazine-1-carboxylate
CID 167118845
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29208638
benzyl (3R)-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxylate
CID 96554940
2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29185332
1-ethyl-4-prop-2-enoxycarbonylpiperazine-2-carboxylic acid
CID 167729197
[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
CID 80504597
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 95169829
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45217591

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate (CID 122607695) is prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate is C=CCOC(=O)N1CCN(CCCc2ccccc2)C(CCCO)C1.
What is the InChIKey of prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate?
The InChIKey is UDMSNZRJRKAPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-16-25-20(24)22-14-13-21(19(17-22)11-7-15-23)12-6-10-18-8-4-3-5-9-18/h2-5,8-9,19,23H,1,6-7,10-17H2.
What are the key properties of prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate?
prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 122607695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).