1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine

C127H237N7O4S — CID 158904514

IUPAC1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine
SMILESCCCCCCCCCCCCCCN1CCN(CCCCCCCCCCCCCC)C1.CCCCCCCCCCCCCOc1ccc(N2CCCCC2)cc1.CCCCCCCCCCCCN1CCN(CCCCCCCCCCCC)CC1.CCCCCCCCCCCCOc1ccc(N2CCOCC2)cc1.CCCCCCCCCCCCOc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C31H64N2.C28H58N2.C24H41NO.C22H37NO2.C22H37NOS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-29-30-33(31-32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-29-25-27-30(28-26-29)24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-15-22-26-24-18-16-23(17-19-24)25-20-13-12-14-21-25;1-2-3-4-5-6-7-8-9-10-11-18-25-22-14-12-21(13-15-22)23-16-19-24-20-17-23;1-2-3-4-5-6-7-8-9-10-11-18-24-22-14-12-21(13-15-22)23-16-19-25-20-17-23/h3-31H2,1-2H3;3-28H2,1-2H3;16-19H,2-15,20-22H2,1H3;2*12-15H,2-11,16-20H2,1H3
InChIKeyJFWLATISJOKBEY-UHFFFAOYSA-N
MW1958.40 g/mol
LogP38.14
Rot. Bonds88

About 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine

1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine (PubChem CID 158904514) has the molecular formula C127H237N7O4S and a molecular weight of 1958.40 g/mol. Its IUPAC name is 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine.

Molecular Properties

Compound Name1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine
PubChem CID158904514
Molecular FormulaC127H237N7O4S
Molecular Weight1958.40 g/mol
Exact Mass1956.83
IUPAC Name1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine
SMILESCCCCCCCCCCCCCCN1CCN(CCCCCCCCCCCCCC)C1.CCCCCCCCCCCCCOc1ccc(N2CCCCC2)cc1.CCCCCCCCCCCCN1CCN(CCCCCCCCCCCC)CC1.CCCCCCCCCCCCOc1ccc(N2CCOCC2)cc1.CCCCCCCCCCCCOc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C31H64N2.C28H58N2.C24H41NO.C22H37NO2.C22H37NOS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-29-30-33(31-32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-29-25-27-30(28-26-29)24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-15-22-26-24-18-16-23(17-19-24)25-20-13-12-14-21-25;1-2-3-4-5-6-7-8-9-10-11-18-25-22-14-12-21(13-15-22)23-16-19-24-20-17-23;1-2-3-4-5-6-7-8-9-10-11-18-24-22-14-12-21(13-15-22)23-16-19-25-20-17-23/h3-31H2,1-2H3;3-28H2,1-2H3;16-19H,2-15,20-22H2,1H3;2*12-15H,2-11,16-20H2,1H3
InChIKeyJFWLATISJOKBEY-UHFFFAOYSA-N
XLogP38.14
TPSA59.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds88
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.40
LogP ≤ 538.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine 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

4-(4-butoxyphenyl)thiomorpholine
CID 69160292
4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine
CID 122376206
ethyl 4-[4-(4-octoxyphenyl)piperazin-1-yl]butanoate
CID 118389815
9-[4-[[4-[(4-thiomorpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenoxy]nonyl propanoate
CID 156628724
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile
CID 67131816
4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid
CID 11058060
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
1-pentyl-4-[4-(trifluoromethoxy)phenyl]piperazine
CID 90698540

Frequently Asked Questions

What is the IUPAC name of 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine?
The IUPAC name of 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine (CID 158904514) is 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine.
What is the SMILES notation for 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine?
The canonical SMILES for 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine is CCCCCCCCCCCCCCN1CCN(CCCCCCCCCCCCCC)C1.CCCCCCCCCCCCCOc1ccc(N2CCCCC2)cc1.CCCCCCCCCCCCN1CCN(CCCCCCCCCCCC)CC1.CCCCCCCCCCCCOc1ccc(N2CCOCC2)cc1.CCCCCCCCCCCCOc1ccc(N2CCSCC2)cc1.
What is the InChIKey of 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine?
The InChIKey is JFWLATISJOKBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64N2.C28H58N2.C24H41NO.C22H37NO2.C22H37NOS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-29-30-33(31-32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-29-25-27-30(28-26-29)24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-15-22-26-24-18-16-23(17-19-24)25-20-13-12-14-21-25;1-2-3-4-5-6-7-8-9-10-11-18-25-22-14-12-21(13-15-22)23-16-19-24-20-17-23;1-2-3-4-5-6-7-8-9-10-11-18-24-22-14-12-21(13-15-22)23-16-19-25-20-17-23/h3-31H2,1-2H3;3-28H2,1-2H3;16-19H,2-15,20-22H2,1H3;2*12-15H,2-11,16-20H2,1H3.
What are the key properties of 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine?
1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine has a molecular weight of 1958.40 g/mol, XLogP of 38.14, 88 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine is sourced from PubChem (CID 158904514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).