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

C12H21N5O — CID 62020648

IUPAC2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C12H21N5O/c18-8-6-10-3-1-2-7-16(10)9-12-13-14-15-17(12)11-4-5-11/h10-11,18H,1-9H2
InChIKeyIGTGAIUJZLQQAH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.74
Rot. Bonds5

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

2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 62020648) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
PubChem CID62020648
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C12H21N5O/c18-8-6-10-3-1-2-7-16(10)9-12-13-14-15-17(12)11-4-5-11/h10-11,18H,1-9H2
InChIKeyIGTGAIUJZLQQAH-UHFFFAOYSA-N
XLogP0.74
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol (CID 62020648) is 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1Cc1nnnn1C1CC1.
What is the InChIKey of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is IGTGAIUJZLQQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c18-8-6-10-3-1-2-7-16(10)9-12-13-14-15-17(12)11-4-5-11/h10-11,18H,1-9H2.
What are the key properties of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 62020648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).