2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride

C15H20ClN3 — CID 172829454

IUPAC2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
SMILESCl.c1cc2c3c(c1)nc(C1CCNCC1)n3CCC2
InChIInChI=1S/C15H19N3.ClH/c1-3-11-4-2-10-18-14(11)13(5-1)17-15(18)12-6-8-16-9-7-12;/h1,3,5,12,16H,2,4,6-10H2;1H
InChIKeyVHZMWRAOYGKZCV-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.87
Rot. Bonds1

About 2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride

2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride (PubChem CID 172829454) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
PubChem CID172829454
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
SMILESCl.c1cc2c3c(c1)nc(C1CCNCC1)n3CCC2
InChIInChI=1S/C15H19N3.ClH/c1-3-11-4-2-10-18-14(11)13(5-1)17-15(18)12-6-8-16-9-7-12;/h1,3,5,12,16H,2,4,6-10H2;1H
InChIKeyVHZMWRAOYGKZCV-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride?
The IUPAC name of 2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride (CID 172829454) is 2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride?
The canonical SMILES for 2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride is Cl.c1cc2c3c(c1)nc(C1CCNCC1)n3CCC2.
What is the InChIKey of 2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride?
The InChIKey is VHZMWRAOYGKZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.ClH/c1-3-11-4-2-10-18-14(11)13(5-1)17-15(18)12-6-8-16-9-7-12;/h1,3,5,12,16H,2,4,6-10H2;1H.
What are the key properties of 2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride?
2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride is sourced from PubChem (CID 172829454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).