N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine

C17H24N6 — CID 128860995

IUPACN-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine
SMILESc1ccc(N2CCC(NC3CCc4nnnn4CC3)CC2)cc1
InChIInChI=1S/C17H24N6/c1-2-4-16(5-3-1)22-11-8-15(9-12-22)18-14-6-7-17-19-20-21-23(17)13-10-14/h1-5,14-15,18H,6-13H2
InChIKeyUETUIJNHROAJCY-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.64
Rot. Bonds3

About N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine

N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine (PubChem CID 128860995) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine.

Molecular Properties

Compound NameN-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine
PubChem CID128860995
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine
SMILESc1ccc(N2CCC(NC3CCc4nnnn4CC3)CC2)cc1
InChIInChI=1S/C17H24N6/c1-2-4-16(5-3-1)22-11-8-15(9-12-22)18-14-6-7-17-19-20-21-23(17)13-10-14/h1-5,14-15,18H,6-13H2
InChIKeyUETUIJNHROAJCY-UHFFFAOYSA-N
XLogP1.64
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine with MolForge

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Related Compounds

N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
N-[3-(4-chlorophenyl)cyclohexyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine
CID 128861147
3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
CID 106820358
1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine
CID 103778408
2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine
CID 133371653
N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine
CID 103904738
ethane;4-methyl-1-phenylpiperidine
CID 143180672
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
N-[(2-methylcyclopropyl)methyl]-1-phenylpiperidin-4-amine
CID 103779083
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820286

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine?
The IUPAC name of N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine (CID 128860995) is N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine.
What is the SMILES notation for N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine?
The canonical SMILES for N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine is c1ccc(N2CCC(NC3CCc4nnnn4CC3)CC2)cc1.
What is the InChIKey of N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine?
The InChIKey is UETUIJNHROAJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-2-4-16(5-3-1)22-11-8-15(9-12-22)18-14-6-7-17-19-20-21-23(17)13-10-14/h1-5,14-15,18H,6-13H2.
What are the key properties of N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine?
N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine has a molecular weight of 312.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine is sourced from PubChem (CID 128860995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).