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

C12H23N5O — CID 60690376

IUPAC2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESCCCn1nnnc1CN1CCCCC1CCO
InChIInChI=1S/C12H23N5O/c1-2-7-17-12(13-14-15-17)10-16-8-4-3-5-11(16)6-9-18/h11,18H,2-10H2,1H3
InChIKeyASZHOJIONCXBIO-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.82
Rot. Bonds6

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

2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 60690376) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
PubChem CID60690376
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESCCCn1nnnc1CN1CCCCC1CCO
InChIInChI=1S/C12H23N5O/c1-2-7-17-12(13-14-15-17)10-16-8-4-3-5-11(16)6-9-18/h11,18H,2-10H2,1H3
InChIKeyASZHOJIONCXBIO-UHFFFAOYSA-N
XLogP0.82
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol (CID 60690376) is 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol is CCCn1nnnc1CN1CCCCC1CCO.
What is the InChIKey of 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is ASZHOJIONCXBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-2-7-17-12(13-14-15-17)10-16-8-4-3-5-11(16)6-9-18/h11,18H,2-10H2,1H3.
What are the key properties of 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 253.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 60690376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).