tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate

C17H30N2O3 — CID 88890750

IUPACtert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate
SMILESC=C/C=C\CC(CCO)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N2O3/c1-5-6-7-8-15(9-14-20)18-10-12-19(13-11-18)16(21)22-17(2,3)4/h5-7,15,20H,1,8-14H2,2-4H3/b7-6-
InChIKeyRUHLBOBQGFDLQC-SREVYHEPSA-N
MW310.44 g/mol
LogP2.42
Rot. Bonds6

About tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate

tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate (PubChem CID 88890750) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate
PubChem CID88890750
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate
SMILESC=C/C=C\CC(CCO)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N2O3/c1-5-6-7-8-15(9-14-20)18-10-12-19(13-11-18)16(21)22-17(2,3)4/h5-7,15,20H,1,8-14H2,2-4H3/b7-6-
InChIKeyRUHLBOBQGFDLQC-SREVYHEPSA-N
XLogP2.42
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
CID 70034747
tert-butyl 4-(1,3-dichloropropan-2-yl)piperazine-1-carboxylate
CID 155146596
tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate
CID 124907642
tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
CID 142661174
tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate
CID 134982303
tert-butyl 4-(1-aminopentan-3-yl)-1,4-diazepane-1-carboxylate
CID 43252186
tert-butyl 4-(1-fluoroethyl)piperazine-1-carboxylate
CID 53421985
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 4-hexan-2-ylpiperazine-1-carboxylate
CID 134516807
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
CID 129370784
tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 57420345
tert-butyl 4-(3-bromo-4-oxobutyl)piperazine-1-carboxylate
CID 175042530

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate (CID 88890750) is tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate is C=C/C=C\CC(CCO)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate?
The InChIKey is RUHLBOBQGFDLQC-SREVYHEPSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-6-7-8-15(9-14-20)18-10-12-19(13-11-18)16(21)22-17(2,3)4/h5-7,15,20H,1,8-14H2,2-4H3/b7-6-.
What are the key properties of tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate?
tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 88890750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).