2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol

C13H25N5O — CID 60690262

IUPAC2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESCCCCn1nnnc1CN1CCCCC1CCO
InChIInChI=1S/C13H25N5O/c1-2-3-9-18-13(14-15-16-18)11-17-8-5-4-6-12(17)7-10-19/h12,19H,2-11H2,1H3
InChIKeyQKJJUNXNXRMHNG-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.21
Rot. Bonds7

About 2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol

2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 60690262) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
PubChem CID60690262
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESCCCCn1nnnc1CN1CCCCC1CCO
InChIInChI=1S/C13H25N5O/c1-2-3-9-18-13(14-15-16-18)11-17-8-5-4-6-12(17)7-10-19/h12,19H,2-11H2,1H3
InChIKeyQKJJUNXNXRMHNG-UHFFFAOYSA-N
XLogP1.21
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol (CID 60690262) is 2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol is CCCCn1nnnc1CN1CCCCC1CCO.
What is the InChIKey of 2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is QKJJUNXNXRMHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-2-3-9-18-13(14-15-16-18)11-17-8-5-4-6-12(17)7-10-19/h12,19H,2-11H2,1H3.
What are the key properties of 2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 267.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 60690262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).