N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine

C19H23N7 — CID 166257245

IUPACN-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
SMILESCc1cccc(N2CCC(Nc3nnnn3Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N7/c1-15-6-5-9-18(20-15)25-12-10-17(11-13-25)21-19-22-23-24-26(19)14-16-7-3-2-4-8-16/h2-9,17H,10-14H2,1H3,(H,21,22,24)
InChIKeyDHDIJLAVAOLCKJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.51
Rot. Bonds5

About N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine

N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine (PubChem CID 166257245) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
PubChem CID166257245
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
SMILESCc1cccc(N2CCC(Nc3nnnn3Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N7/c1-15-6-5-9-18(20-15)25-12-10-17(11-13-25)21-19-22-23-24-26(19)14-16-7-3-2-4-8-16/h2-9,17H,10-14H2,1H3,(H,21,22,24)
InChIKeyDHDIJLAVAOLCKJ-UHFFFAOYSA-N
XLogP2.51
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
The IUPAC name of N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine (CID 166257245) is N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine.
What is the SMILES notation for N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
The canonical SMILES for N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine is Cc1cccc(N2CCC(Nc3nnnn3Cc3ccccc3)CC2)n1.
What is the InChIKey of N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
The InChIKey is DHDIJLAVAOLCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-15-6-5-9-18(20-15)25-12-10-17(11-13-25)21-19-22-23-24-26(19)14-16-7-3-2-4-8-16/h2-9,17H,10-14H2,1H3,(H,21,22,24).
What are the key properties of N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 166257245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).