ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine

C31H67N5O — CID 145336541

IUPACethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine
SMILESC1CCNCC1.CC.CC(C)CN1CCC(N2CCOCC2)CC1.CCN1CCC(N(CC)CC)CC1
InChIInChI=1S/C13H26N2O.C11H24N2.C5H11N.C2H6/c1-12(2)11-14-5-3-13(4-6-14)15-7-9-16-10-8-15;1-4-12-9-7-11(8-10-12)13(5-2)6-3;1-2-4-6-5-3-1;1-2/h12-13H,3-11H2,1-2H3;11H,4-10H2,1-3H3;6H,1-5H2;1-2H3
InChIKeyFJJBPFXPFBESEX-UHFFFAOYSA-N
MW525.91 g/mol
LogP5.04
Rot. Bonds7

About ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine

ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine (PubChem CID 145336541) has the molecular formula C31H67N5O and a molecular weight of 525.91 g/mol. Its IUPAC name is ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine
PubChem CID145336541
Molecular FormulaC31H67N5O
Molecular Weight525.91 g/mol
Exact Mass525.53
IUPAC Nameethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine
SMILESC1CCNCC1.CC.CC(C)CN1CCC(N2CCOCC2)CC1.CCN1CCC(N(CC)CC)CC1
InChIInChI=1S/C13H26N2O.C11H24N2.C5H11N.C2H6/c1-12(2)11-14-5-3-13(4-6-14)15-7-9-16-10-8-15;1-4-12-9-7-11(8-10-12)13(5-2)6-3;1-2-4-6-5-3-1;1-2/h12-13H,3-11H2,1-2H3;11H,4-10H2,1-3H3;6H,1-5H2;1-2H3
InChIKeyFJJBPFXPFBESEX-UHFFFAOYSA-N
XLogP5.04
TPSA34.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.91
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine 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

Azane;2-ethylmorpholine;2-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine
CID 67158808
2-Methylpiperidine;4-(2-piperazin-1-ylethyl)morpholine
CID 68616628
1-(2-Morpholin-4-ylethyl)piperidin-4-amine
CID 70274947
4-[3-(4-Methylpiperazin-1-yl)-2-piperidin-1-ylpiperidin-2-yl]morpholine
CID 90903170
4-[3-(4-Methylpiperazin-1-yl)-2-piperazin-1-ylpiperidin-2-yl]morpholine
CID 90903647
1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
CID 91291877
2-Methyl-4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]morpholine
CID 120374745
N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 138626153
(2R,6S)-2-methyl-6-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]morpholine
CID 141468104
(2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine
CID 141468154
(2R,6S)-2-methyl-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]morpholine
CID 141468267
Ethane;morpholine;bis(piperidine)
CID 142240464

Frequently Asked Questions

What is the IUPAC name of ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine?
The IUPAC name of ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine (CID 145336541) is ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine.
What is the SMILES notation for ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine?
The canonical SMILES for ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine is C1CCNCC1.CC.CC(C)CN1CCC(N2CCOCC2)CC1.CCN1CCC(N(CC)CC)CC1.
What is the InChIKey of ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine?
The InChIKey is FJJBPFXPFBESEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C11H24N2.C5H11N.C2H6/c1-12(2)11-14-5-3-13(4-6-14)15-7-9-16-10-8-15;1-4-12-9-7-11(8-10-12)13(5-2)6-3;1-2-4-6-5-3-1;1-2/h12-13H,3-11H2,1-2H3;11H,4-10H2,1-3H3;6H,1-5H2;1-2H3.
What are the key properties of ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine?
ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine has a molecular weight of 525.91 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine is sourced from PubChem (CID 145336541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).