1-piperidin-4-yl-1,4-diazepane

C10H21N3 — CID 53414008

IUPAC1-piperidin-4-yl-1,4-diazepane
SMILESC1CNCCN(C2CCNCC2)C1
InChIInChI=1S/C10H21N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h10-12H,1-9H2
InChIKeyQYDWHEYNBAQBHJ-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.03
Rot. Bonds1

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

1-piperidin-4-yl-1,4-diazepane (PubChem CID 53414008) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-piperidin-4-yl-1,4-diazepane.

Molecular Properties

Compound Name1-piperidin-4-yl-1,4-diazepane
PubChem CID53414008
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-piperidin-4-yl-1,4-diazepane
SMILESC1CNCCN(C2CCNCC2)C1
InChIInChI=1S/C10H21N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h10-12H,1-9H2
InChIKeyQYDWHEYNBAQBHJ-UHFFFAOYSA-N
XLogP0.03
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
1-piperidin-4-ylpiperidine chloride
CID 3083875
1,4-diazabicyclo[6.2.0]decane
CID 118210284
1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
CID 83670813
azane;1-piperidin-4-ylpiperidine;platinum(2+);dichloride
CID 10297684
1-cycloheptylpiperazine;methane
CID 143122535
1-cyclopentylpiperazine;ethane
CID 143559542
1-(thietan-3-yl)-1,4-diazepane
CID 83874149
1-[(3R)-thiolan-3-yl]-1,4-diazepane
CID 93464550
1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine
CID 158755919
1-(3-methylcyclopentyl)-1,4-diazepane
CID 64516428
1-piperidin-4-yl-4-pyrrolidin-1-ylpiperazine
CID 130307595

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-1,4-diazepane?
The IUPAC name of 1-piperidin-4-yl-1,4-diazepane (CID 53414008) is 1-piperidin-4-yl-1,4-diazepane.
What is the SMILES notation for 1-piperidin-4-yl-1,4-diazepane?
The canonical SMILES for 1-piperidin-4-yl-1,4-diazepane is C1CNCCN(C2CCNCC2)C1.
What is the InChIKey of 1-piperidin-4-yl-1,4-diazepane?
The InChIKey is QYDWHEYNBAQBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h10-12H,1-9H2.
What are the key properties of 1-piperidin-4-yl-1,4-diazepane?
1-piperidin-4-yl-1,4-diazepane has a molecular weight of 183.30 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-1,4-diazepane is sourced from PubChem (CID 53414008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).