1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane

C12H25N3 — CID 115102287

IUPAC1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane
SMILESCC1CN(C2CCCCN2)CCCN1C
InChIInChI=1S/C12H25N3/c1-11-10-15(9-5-8-14(11)2)12-6-3-4-7-13-12/h11-13H,3-10H2,1-2H3
InChIKeyMQOQSJAISXQQDH-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.11
Rot. Bonds1

About 1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane

1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane (PubChem CID 115102287) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane
PubChem CID115102287
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane
SMILESCC1CN(C2CCCCN2)CCCN1C
InChIInChI=1S/C12H25N3/c1-11-10-15(9-5-8-14(11)2)12-6-3-4-7-13-12/h11-13H,3-10H2,1-2H3
InChIKeyMQOQSJAISXQQDH-UHFFFAOYSA-N
XLogP1.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-4-piperidin-2-ylpiperazine
CID 112546464
3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
CID 112546665
2-(4-methylpiperazin-1-yl)azepane
CID 57005564
2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine
CID 112546685
2,4-dimethyl-1-piperidin-2-ylpiperazine
CID 112546461
1-[(2S)-piperidin-2-yl]azetidin-3-ol
CID 91523423
1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine
CID 129370918
2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 89116377
3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938047
(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913945
2-(3,4-dimethylpiperazin-1-yl)cyclohexan-1-amine
CID 63609475
2-(1-methylpyrrolidin-2-yl)piperidine
CID 14810995

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane?
The IUPAC name of 1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane (CID 115102287) is 1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane.
What is the SMILES notation for 1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane?
The canonical SMILES for 1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane is CC1CN(C2CCCCN2)CCCN1C.
What is the InChIKey of 1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane?
The InChIKey is MQOQSJAISXQQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-11-10-15(9-5-8-14(11)2)12-6-3-4-7-13-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane?
1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane has a molecular weight of 211.35 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane is sourced from PubChem (CID 115102287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).