1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine

C33H71N7O — CID 161249004

IUPAC1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine
SMILESCC1CCN(C)CC1.CC1CCNCC1.CN1CCCNCC1.CN1CCN2CCCCC2C1.CN1CCOCC1
InChIInChI=1S/C9H18N2.C7H15N.C6H14N2.C6H13N.C5H11NO/c1-10-6-7-11-5-3-2-4-9(11)8-10;1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;2*1-6-2-4-7-5-3-6/h9H,2-8H2,1H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;2-5H2,1H3
InChIKeyVBACNWCZTOHXOZ-UHFFFAOYSA-N
MW581.98 g/mol
LogP3.00
Rot. Bonds

About 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine

1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine (PubChem CID 161249004) has the molecular formula C33H71N7O and a molecular weight of 581.98 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine
PubChem CID161249004
Molecular FormulaC33H71N7O
Molecular Weight581.98 g/mol
Exact Mass581.57
IUPAC Name1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine
SMILESCC1CCN(C)CC1.CC1CCNCC1.CN1CCCNCC1.CN1CCN2CCCCC2C1.CN1CCOCC1
InChIInChI=1S/C9H18N2.C7H15N.C6H14N2.C6H13N.C5H11NO/c1-10-6-7-11-5-3-2-4-9(11)8-10;1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;2*1-6-2-4-7-5-3-6/h9H,2-8H2,1H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;2-5H2,1H3
InChIKeyVBACNWCZTOHXOZ-UHFFFAOYSA-N
XLogP3.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.98
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine 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-[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
1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(1,4-dimethylpiperazine);1,4-dimethylpiperidine;methane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine
CID 157109949
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
1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
CID 157379499
N-tert-butylcyclohexanamine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;N,N,2-trimethylpropan-2-amine
CID 157806482
2,3-dimethylbutan-1-amine;N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;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 158299292
1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine
CID 158833833
1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(1,4-dimethylpiperazine);1,4-dimethylpiperidine;methane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine
CID 159465427
1,4-Dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine
CID 159640212
1,4-dimethylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;4-methylpiperidine
CID 159662860
1-Propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine
CID 159943337
1,4-dimethylpiperidine;methane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;4-methylmorpholine;4-methylpiperidine
CID 160210577

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine (CID 161249004) is 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine is CC1CCN(C)CC1.CC1CCNCC1.CN1CCCNCC1.CN1CCN2CCCCC2C1.CN1CCOCC1.
What is the InChIKey of 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine?
The InChIKey is VBACNWCZTOHXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C7H15N.C6H14N2.C6H13N.C5H11NO/c1-10-6-7-11-5-3-2-4-9(11)8-10;1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;2*1-6-2-4-7-5-3-6/h9H,2-8H2,1H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine?
1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine has a molecular weight of 581.98 g/mol, XLogP of 3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine is sourced from PubChem (CID 161249004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).