4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine

C10H19N3 — CID 89176018

IUPAC4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine
SMILESC1=NCCN(C2CCNCC2)CC1
InChIInChI=1S/C10H19N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h4,10,12H,1-3,5-9H2
InChIKeyVKGWMRKZLGMEOQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.51
Rot. Bonds1

About 4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine

4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine (PubChem CID 89176018) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine.

Molecular Properties

Compound Name4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine
PubChem CID89176018
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine
SMILESC1=NCCN(C2CCNCC2)CC1
InChIInChI=1S/C10H19N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h4,10,12H,1-3,5-9H2
InChIKeyVKGWMRKZLGMEOQ-UHFFFAOYSA-N
XLogP0.51
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
1-piperidin-4-ylpiperidine chloride
CID 3083875
1-piperidin-4-yl-1,4-diazepane
CID 53414008
azane;1-piperidin-4-ylpiperidine;platinum(2+);dichloride
CID 10297684
1-piperidin-4-yl-4-pyrrolidin-1-ylpiperazine
CID 130307595
4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
CID 71758395
1-methyl-4-piperidin-4-ylpiperazine;hydrochloride
CID 45074780
4-methyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 56831594
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613
1-piperidin-4-ylpiperidine;2,3,4,5-tetrahydropyridin-6-amine
CID 158683468
1-cyclopentylpiperazine;ethane
CID 143559542
1-cycloheptylpiperazine;methane
CID 143122535

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine?
The IUPAC name of 4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine (CID 89176018) is 4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine.
What is the SMILES notation for 4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine?
The canonical SMILES for 4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine is C1=NCCN(C2CCNCC2)CC1.
What is the InChIKey of 4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine?
The InChIKey is VKGWMRKZLGMEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h4,10,12H,1-3,5-9H2.
What are the key properties of 4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine?
4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine has a molecular weight of 181.28 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-2,3,5,6-tetrahydro-1,4-diazepine is sourced from PubChem (CID 89176018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).