ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine

C12H25N5 — CID 143699513

IUPACethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine
SMILESCC.CC(C)C1CCN(c2nnnn2C)CC1
InChIInChI=1S/C10H19N5.C2H6/c1-8(2)9-4-6-15(7-5-9)10-11-12-13-14(10)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyOVLUFMZEWUMKNH-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.11
Rot. Bonds2

About ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine

ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine (PubChem CID 143699513) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine
PubChem CID143699513
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Nameethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine
SMILESCC.CC(C)C1CCN(c2nnnn2C)CC1
InChIInChI=1S/C10H19N5.C2H6/c1-8(2)9-4-6-15(7-5-9)10-11-12-13-14(10)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyOVLUFMZEWUMKNH-UHFFFAOYSA-N
XLogP2.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine?
The IUPAC name of ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine (CID 143699513) is ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine.
What is the SMILES notation for ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine?
The canonical SMILES for ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine is CC.CC(C)C1CCN(c2nnnn2C)CC1.
What is the InChIKey of ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine?
The InChIKey is OVLUFMZEWUMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.C2H6/c1-8(2)9-4-6-15(7-5-9)10-11-12-13-14(10)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine?
ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine has a molecular weight of 239.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 143699513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).