4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine

C30H61N3O2 — CID 176986204

IUPAC4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)CCOCCN1CCN(C(C)C)CC1.CCC1CCC(OC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H31NO.C14H30N2O/c1-4-14-5-7-15(8-6-14)18-16-9-11-17(12-10-16)13(2)3;1-13(2)5-11-17-12-10-15-6-8-16(9-7-15)14(3)4/h13-16H,4-12H2,1-3H3;13-14H,5-12H2,1-4H3
InChIKeyHMTJUDFUIKLPLM-UHFFFAOYSA-N
MW495.84 g/mol
LogP5.92
Rot. Bonds11

About 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine

4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine (PubChem CID 176986204) has the molecular formula C30H61N3O2 and a molecular weight of 495.84 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine
PubChem CID176986204
Molecular FormulaC30H61N3O2
Molecular Weight495.84 g/mol
Exact Mass495.48
IUPAC Name4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)CCOCCN1CCN(C(C)C)CC1.CCC1CCC(OC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H31NO.C14H30N2O/c1-4-14-5-7-15(8-6-14)18-16-9-11-17(12-10-16)13(2)3;1-13(2)5-11-17-12-10-15-6-8-16(9-7-15)14(3)4/h13-16H,4-12H2,1-3H3;13-14H,5-12H2,1-4H3
InChIKeyHMTJUDFUIKLPLM-UHFFFAOYSA-N
XLogP5.92
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.84
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine 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-[(2S)-2-(4-cyclohexyloxypiperidin-1-yl)propyl]morpholine
CID 97124285
(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine
CID 124624964
1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxy-N,N-di(propan-2-yl)propan-2-amine
CID 59563464
1-[2-[4-(Cyclohexylmethyl)piperidin-1-yl]ethyl]-4-(2-methoxycyclohexyl)piperazine
CID 68200851
1-[2-[4-(1-Cyclohexylethyl)piperidin-1-yl]ethyl]-4-(2-methoxycyclohexyl)piperazine
CID 70647787
3-(1,4-Dimethylpiperidin-2-yl)-5-(2-methylpropyl)-4-propylmorpholine
CID 123873169
3-[2-Methyl-2-(4-piperidin-1-ylcyclohexyl)oxypropyl]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 129157421
4-(3-Methylbutyl)-2-(2-methyl-6-morpholin-4-ylhexyl)morpholine
CID 134369088
1-[2-[4-(Cyclohexylmethyl)cyclohexyl]oxyethyl]-2,6-dimethylpiperidine
CID 140449748
1-Methyl-4-[2-[1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propan-2-yloxy]ethyl]piperazine
CID 146329209
1-Ethyl-4-methyl-2-[6-(4-methyloxan-2-yl)-1-propan-2-ylpiperidin-3-yl]piperazine
CID 146553594
1-Methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine
CID 153398953

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine?
The IUPAC name of 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine (CID 176986204) is 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine is CC(C)CCOCCN1CCN(C(C)C)CC1.CCC1CCC(OC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine?
The InChIKey is HMTJUDFUIKLPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO.C14H30N2O/c1-4-14-5-7-15(8-6-14)18-16-9-11-17(12-10-16)13(2)3;1-13(2)5-11-17-12-10-15-6-8-16(9-7-15)14(3)4/h13-16H,4-12H2,1-3H3;13-14H,5-12H2,1-4H3.
What are the key properties of 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine?
4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine has a molecular weight of 495.84 g/mol, XLogP of 5.92, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 176986204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).