1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine

C11H19N5 — CID 47022226

IUPAC1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C11H19N5/c1-9-4-6-15(7-5-9)8-11-12-13-14-16(11)10-2-3-10/h9-10H,2-8H2,1H3
InChIKeySKEKAEWLMINAMC-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.24
Rot. Bonds3

About 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine

1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine (PubChem CID 47022226) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine
PubChem CID47022226
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C11H19N5/c1-9-4-6-15(7-5-9)8-11-12-13-14-16(11)10-2-3-10/h9-10H,2-8H2,1H3
InChIKeySKEKAEWLMINAMC-UHFFFAOYSA-N
XLogP1.24
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine (CID 47022226) is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine is CC1CCN(Cc2nnnn2C2CC2)CC1.
What is the InChIKey of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine?
The InChIKey is SKEKAEWLMINAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-9-4-6-15(7-5-9)8-11-12-13-14-16(11)10-2-3-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine?
1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine has a molecular weight of 221.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-4-methylpiperidine is sourced from PubChem (CID 47022226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).