5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C17H25N3 — CID 118055322

IUPAC5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESc1cc2c3c(c1CN1CCCCC1)CCN3CCNC2
InChIInChI=1S/C17H25N3/c1-2-8-19(9-3-1)13-15-5-4-14-12-18-7-11-20-10-6-16(15)17(14)20/h4-5,18H,1-3,6-13H2
InChIKeyHFBARARHEDMEIP-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.14
Rot. Bonds2

About 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055322) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055322
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESc1cc2c3c(c1CN1CCCCC1)CCN3CCNC2
InChIInChI=1S/C17H25N3/c1-2-8-19(9-3-1)13-15-5-4-14-12-18-7-11-20-10-6-16(15)17(14)20/h4-5,18H,1-3,6-13H2
InChIKeyHFBARARHEDMEIP-UHFFFAOYSA-N
XLogP2.14
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene with MolForge

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Related Compounds

5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055298
5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055306
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104102
5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055341
5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055302
5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115103996
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557395
1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine
CID 174835848
1-(1,2,3,6-tetrahydropyridin-4-ylmethyl)azepane
CID 114694805
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557579
4-(piperazin-1-ylmethyl)benzene-1,2,3-triol
CID 12900434

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055322) is 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is c1cc2c3c(c1CN1CCCCC1)CCN3CCNC2.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is HFBARARHEDMEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-8-19(9-3-1)13-15-5-4-14-12-18-7-11-20-10-6-16(15)17(14)20/h4-5,18H,1-3,6-13H2.
What are the key properties of 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 271.41 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).