ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine

C33H74N6O2 — CID 156885685

IUPACethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine
SMILESCC.CC.CC.CCN1CCC(OCCN2CCN(C)CC2)CC1.CCN1CCC(OCCN2CCNCC2)CC1
InChIInChI=1S/C14H29N3O.C13H27N3O.3C2H6/c1-3-16-6-4-14(5-7-16)18-13-12-17-10-8-15(2)9-11-17;1-2-15-7-3-13(4-8-15)17-12-11-16-9-5-14-6-10-16;3*1-2/h14H,3-13H2,1-2H3;13-14H,2-12H2,1H3;3*1-2H3
InChIKeyKEEIRCOUYJRZDN-UHFFFAOYSA-N
MW587.00 g/mol
LogP4.21
Rot. Bonds10

About ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine

ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine (PubChem CID 156885685) has the molecular formula C33H74N6O2 and a molecular weight of 587.00 g/mol. Its IUPAC name is ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine.

Molecular Properties

Compound Nameethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine
PubChem CID156885685
Molecular FormulaC33H74N6O2
Molecular Weight587.00 g/mol
Exact Mass586.59
IUPAC Nameethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine
SMILESCC.CC.CC.CCN1CCC(OCCN2CCN(C)CC2)CC1.CCN1CCC(OCCN2CCNCC2)CC1
InChIInChI=1S/C14H29N3O.C13H27N3O.3C2H6/c1-3-16-6-4-14(5-7-16)18-13-12-17-10-8-15(2)9-11-17;1-2-15-7-3-13(4-8-15)17-12-11-16-9-5-14-6-10-16;3*1-2/h14H,3-13H2,1-2H3;13-14H,2-12H2,1H3;3*1-2H3
InChIKeyKEEIRCOUYJRZDN-UHFFFAOYSA-N
XLogP4.21
TPSA46.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.00
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

1-(2-Morpholin-4-ylethyl)piperidin-4-amine
CID 70274947
1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol
CID 130178577
4-[2,3-Dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 139363204
N-[[(3S)-4-[2-[(5R)-4-[2-[4-ethyl-5-[(propan-2-ylamino)methyl]morpholin-2-yl]ethyl]-5-[(propan-2-ylamino)methyl]morpholin-2-yl]ethyl]morpholin-3-yl]methyl]propan-2-amine
CID 139553520
(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
Ethane;4-methoxypiperidine;morpholine;piperidine
CID 142115335
Ethane;morpholine;bis(piperidine)
CID 142240464
Ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine
CID 143205260
4-Methylmorpholine;1-methylpiperazine;1-methylpiperidine
CID 143931600
Ethane;1-(2-methoxyethyl)piperidine;3-methoxy-1-methylpiperidine;1-methylpiperazine
CID 144518880
Ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine
CID 145109143

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine?
The IUPAC name of ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine (CID 156885685) is ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine.
What is the SMILES notation for ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine?
The canonical SMILES for ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine is CC.CC.CC.CCN1CCC(OCCN2CCN(C)CC2)CC1.CCN1CCC(OCCN2CCNCC2)CC1.
What is the InChIKey of ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine?
The InChIKey is KEEIRCOUYJRZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.C13H27N3O.3C2H6/c1-3-16-6-4-14(5-7-16)18-13-12-17-10-8-15(2)9-11-17;1-2-15-7-3-13(4-8-15)17-12-11-16-9-5-14-6-10-16;3*1-2/h14H,3-13H2,1-2H3;13-14H,2-12H2,1H3;3*1-2H3.
What are the key properties of ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine?
ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine has a molecular weight of 587.00 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine is sourced from PubChem (CID 156885685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).