7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine

C17H30N2 — CID 163664657

IUPAC7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine
SMILESC=C(C1=NCCCCC1)C(C(C)C)N1CCCCC1
InChIInChI=1S/C17H30N2/c1-14(2)17(19-12-8-5-9-13-19)15(3)16-10-6-4-7-11-18-16/h14,17H,3-13H2,1-2H3
InChIKeyIXJADNHGTIYFJC-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.07
Rot. Bonds4

About 7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine

7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine (PubChem CID 163664657) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine.

Molecular Properties

Compound Name7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine
PubChem CID163664657
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine
SMILESC=C(C1=NCCCCC1)C(C(C)C)N1CCCCC1
InChIInChI=1S/C17H30N2/c1-14(2)17(19-12-8-5-9-13-19)15(3)16-10-6-4-7-11-18-16/h14,17H,3-13H2,1-2H3
InChIKeyIXJADNHGTIYFJC-UHFFFAOYSA-N
XLogP4.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine?
The IUPAC name of 7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine (CID 163664657) is 7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine.
What is the SMILES notation for 7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine?
The canonical SMILES for 7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine is C=C(C1=NCCCCC1)C(C(C)C)N1CCCCC1.
What is the InChIKey of 7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine?
The InChIKey is IXJADNHGTIYFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(2)17(19-12-8-5-9-13-19)15(3)16-10-6-4-7-11-18-16/h14,17H,3-13H2,1-2H3.
What are the key properties of 7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine?
7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine has a molecular weight of 262.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-3-piperidin-1-ylpent-1-en-2-yl)-3,4,5,6-tetrahydro-2H-azepine is sourced from PubChem (CID 163664657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).