3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride

C13H21Cl2N3 — CID 141039441

IUPAC3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
SMILESCl.Cl.[H]/N=c1\nccccc1CCC1CCCCN1
InChIInChI=1S/C13H19N3.2ClH/c14-13-11(5-1-3-10-16-13)7-8-12-6-2-4-9-15-12;;/h1,3,5,10,12,14-15H,2,4,6-9H2;2*1H/b14-13-;;
InChIKeyUDSBCNLSBCOLBU-HLBFIJABSA-N
MW290.24 g/mol
LogP2.48
Rot. Bonds3

About 3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride

3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride (PubChem CID 141039441) has the molecular formula C13H21Cl2N3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
PubChem CID141039441
Molecular FormulaC13H21Cl2N3
Molecular Weight290.24 g/mol
Exact Mass289.11
IUPAC Name3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
SMILESCl.Cl.[H]/N=c1\nccccc1CCC1CCCCN1
InChIInChI=1S/C13H19N3.2ClH/c14-13-11(5-1-3-10-16-13)7-8-12-6-2-4-9-15-12;;/h1,3,5,10,12,14-15H,2,4,6-9H2;2*1H/b14-13-;;
InChIKeyUDSBCNLSBCOLBU-HLBFIJABSA-N
XLogP2.48
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
CID 174347735
CID 142470178
CID 142470178
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2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride
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2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
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2-(2-piperidin-2-ylethyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 82132508
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
2-(2-piperidin-2-ylethyl)-1H-imidazo[4,5-b]pyridine
CID 62217550
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
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2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine
CID 62480493

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride?
The IUPAC name of 3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride (CID 141039441) is 3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride.
What is the SMILES notation for 3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride?
The canonical SMILES for 3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride is Cl.Cl.[H]/N=c1\nccccc1CCC1CCCCN1.
What is the InChIKey of 3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride?
The InChIKey is UDSBCNLSBCOLBU-HLBFIJABSA-N. The full InChI is InChI=1S/C13H19N3.2ClH/c14-13-11(5-1-3-10-16-13)7-8-12-6-2-4-9-15-12;;/h1,3,5,10,12,14-15H,2,4,6-9H2;2*1H/b14-13-;;.
What are the key properties of 3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride?
3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride has a molecular weight of 290.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride is sourced from PubChem (CID 141039441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).