ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine

C49H112N8O2 — CID 159428816

IUPACethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
SMILESCC.CC.CC.CC.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C9H18N2O.C9H20N2.C8H18N2.C8H17N.C7H15NO.4C2H6/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)11-6-4-5-10(3)7-8-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;4*1-2/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3
InChIKeyLQSICKRUHKUPRJ-UHFFFAOYSA-N
MW845.49 g/mol
LogP8.95
Rot. Bonds5

About ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine

ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine (PubChem CID 159428816) has the molecular formula C49H112N8O2 and a molecular weight of 845.49 g/mol. Its IUPAC name is ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
PubChem CID159428816
Molecular FormulaC49H112N8O2
Molecular Weight845.49 g/mol
Exact Mass844.89
IUPAC Nameethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
SMILESCC.CC.CC.CC.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C9H18N2O.C9H20N2.C8H18N2.C8H17N.C7H15NO.4C2H6/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)11-6-4-5-10(3)7-8-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;4*1-2/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3
InChIKeyLQSICKRUHKUPRJ-UHFFFAOYSA-N
XLogP8.95
TPSA52.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.49
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine 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

2-(4-Morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442411
1-(4-Butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 57443142
2-[4-(2-Morpholin-4-ylethyl)piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826254
1-[4-[(2R)-1-[2-[4-[(2R)-5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]piperazin-1-yl]ethanone
CID 155322705
Ethane;methane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
CID 160173185
1-[3-(3-Morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one
CID 164926799
(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 165020891
1-(4-Methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 122154247
1-(4-methylpiperazin-1-yl)-3-[(3S)-3-morpholin-4-ylpiperidin-1-yl]propan-1-one
CID 125536115
1-(4-methylpiperazin-1-yl)-3-[(3R)-3-morpholin-4-ylpiperidin-1-yl]propan-1-one
CID 125536116
1-Methyl-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]-1,4-diazepane diformate
CID 131902804
3-[4-(3-Methylmorpholin-4-yl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 145878090

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine?
The IUPAC name of ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine (CID 159428816) is ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine.
What is the SMILES notation for ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine?
The canonical SMILES for ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine is CC.CC.CC.CC.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.
What is the InChIKey of ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine?
The InChIKey is LQSICKRUHKUPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C9H20N2.C8H18N2.C8H17N.C7H15NO.4C2H6/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)11-6-4-5-10(3)7-8-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;4*1-2/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3.
What are the key properties of ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine?
ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine has a molecular weight of 845.49 g/mol, XLogP of 8.95, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine is sourced from PubChem (CID 159428816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).