1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine

C12H21N5 — CID 166901025

IUPAC1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(c2nnnn2C2CC2)CC1
InChIInChI=1S/C12H21N5/c1-9(2)10-5-7-16(8-6-10)12-13-14-15-17(12)11-3-4-11/h9-11H,3-8H2,1-2H3
InChIKeyHVDYJZMEPCWGTO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds3

About 1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine

1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine (PubChem CID 166901025) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine
PubChem CID166901025
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(c2nnnn2C2CC2)CC1
InChIInChI=1S/C12H21N5/c1-9(2)10-5-7-16(8-6-10)12-13-14-15-17(12)11-3-4-11/h9-11H,3-8H2,1-2H3
InChIKeyHVDYJZMEPCWGTO-UHFFFAOYSA-N
XLogP1.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.88
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)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine (CID 166901025) is 1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine is CC(C)C1CCN(c2nnnn2C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine?
The InChIKey is HVDYJZMEPCWGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9(2)10-5-7-16(8-6-10)12-13-14-15-17(12)11-3-4-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine?
1-(1-cyclopropyltetrazol-5-yl)-4-propan-2-ylpiperidine has a molecular weight of 235.33 g/mol, XLogP of 1.88, 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)-4-propan-2-ylpiperidine is sourced from PubChem (CID 166901025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).