1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine

C44H97N9O — CID 157291544

IUPAC1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
SMILESCC1CCCN(C)C1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.C[C@@H]1CCCNC1
InChIInChI=1S/C7H16N2.2C7H15N.C6H14N2.2C6H13N.C5H11NO/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3/t;;;;6-;;/m....1../s1
InChIKeyBAWBABKEHQCYOK-WIRJLEOJSA-N
MW768.32 g/mol
LogP4.87
Rot. Bonds1

About 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine

1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine (PubChem CID 157291544) has the molecular formula C44H97N9O and a molecular weight of 768.32 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
PubChem CID157291544
Molecular FormulaC44H97N9O
Molecular Weight768.32 g/mol
Exact Mass767.78
IUPAC Name1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
SMILESCC1CCCN(C)C1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.C[C@@H]1CCCNC1
InChIInChI=1S/C7H16N2.2C7H15N.C6H14N2.2C6H13N.C5H11NO/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3/t;;;;6-;;/m....1../s1
InChIKeyBAWBABKEHQCYOK-WIRJLEOJSA-N
XLogP4.87
TPSA47.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500768.32
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

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
4-Butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane
CID 142134619
4-(4-Methylpiperazin-1-yl)morpholine;3-methylpiperidine;4-methylpiperidine
CID 143224692
4-[1-[3-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]-8-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(4-piperazin-1-ylpiperidin-1-yl)-6-(4-piperidin-4-ylpiperidin-1-yl)nonan-4-yl]piperidin-4-yl]morpholine
CID 146177091
N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium
CID 155702607
methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
CID 157192131
N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;1-ethyl-4-(3-methylbutyl)piperazine;3-methylbutan-1-amine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane
CID 157200465
2,3-dimethylbutan-1-amine;N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;2,2,3-trimethylbutan-1-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane
CID 157205695
Ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
CID 157299362
1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
CID 157379499
ethane;methane;1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
CID 157532905
1-(2-Methoxyethyl)-4-propan-2-ylpiperidine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-(2-methylpropyl)morpholine
CID 157596719

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine (CID 157291544) is 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine is CC1CCCN(C)C1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.C[C@@H]1CCCNC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine?
The InChIKey is BAWBABKEHQCYOK-WIRJLEOJSA-N. The full InChI is InChI=1S/C7H16N2.2C7H15N.C6H14N2.2C6H13N.C5H11NO/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3/t;;;;6-;;/m....1../s1.
What are the key properties of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine?
1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine has a molecular weight of 768.32 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine is sourced from PubChem (CID 157291544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).