hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride

C13H22Cl2N3+ — CID 174347735

IUPAChydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
SMILESCl.Cl.[H+].[H]/N=c1\ccccc(CCC2CCCCN2)n1
InChIInChI=1S/C13H19N3.2ClH/c14-13-7-2-1-6-12(16-13)9-8-11-5-3-4-10-15-11;;/h1-2,6-7,11,14-15H,3-5,8-10H2;2*1H/p+1/b14-13+;;
InChIKeyRBWWOTDLSTYMSE-QDBORUFSSA-O
MW291.25 g/mol
LogP2.59
Rot. Bonds3

About hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride

hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride (PubChem CID 174347735) has the molecular formula C13H22Cl2N3+ and a molecular weight of 291.25 g/mol. Its IUPAC name is hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride.

Molecular Properties

Compound Namehydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
PubChem CID174347735
Molecular FormulaC13H22Cl2N3+
Molecular Weight291.25 g/mol
Exact Mass290.12
IUPAC Namehydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
SMILESCl.Cl.[H+].[H]/N=c1\ccccc(CCC2CCCCN2)n1
InChIInChI=1S/C13H19N3.2ClH/c14-13-7-2-1-6-12(16-13)9-8-11-5-3-4-10-15-11;;/h1-2,6-7,11,14-15H,3-5,8-10H2;2*1H/p+1/b14-13+;;
InChIKeyRBWWOTDLSTYMSE-QDBORUFSSA-O
XLogP2.59
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
CID 141039441
2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine
CID 62216718
CID 142470178
CID 142470178
2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 79817603
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
2-(2-phenylsulfanylethyl)azepane
CID 79223210
3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
CID 103204979
2-(2-piperidin-2-ylethoxy)quinoxaline
CID 62359871
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
2-(2-piperidin-2-ylethyl)-1H-imidazo[4,5-b]pyridine
CID 62217550

Frequently Asked Questions

What is the IUPAC name of hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride?
The IUPAC name of hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride (CID 174347735) is hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride.
What is the SMILES notation for hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride?
The canonical SMILES for hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride is Cl.Cl.[H+].[H]/N=c1\ccccc(CCC2CCCCN2)n1.
What is the InChIKey of hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride?
The InChIKey is RBWWOTDLSTYMSE-QDBORUFSSA-O. The full InChI is InChI=1S/C13H19N3.2ClH/c14-13-7-2-1-6-12(16-13)9-8-11-5-3-4-10-15-11;;/h1-2,6-7,11,14-15H,3-5,8-10H2;2*1H/p+1/b14-13+;;.
What are the key properties of hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride?
hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride has a molecular weight of 291.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride is sourced from PubChem (CID 174347735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).