1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol

C13H24N5O+ — CID 7140595

IUPAC1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol
SMILESOC1CC[NH+](Cc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C13H23N5O/c19-12-6-8-17(9-7-12)10-13-14-15-16-18(13)11-4-2-1-3-5-11/h11-12,19H,1-10H2/p+1
InChIKeyGXMFVVUJLJUAKZ-UHFFFAOYSA-O
MW266.37 g/mol
LogP-0.28
Rot. Bonds3

About 1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol

1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol (PubChem CID 7140595) has the molecular formula C13H24N5O+ and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol
PubChem CID7140595
Molecular FormulaC13H24N5O+
Molecular Weight266.37 g/mol
Exact Mass266.20
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol
SMILESOC1CC[NH+](Cc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C13H23N5O/c19-12-6-8-17(9-7-12)10-13-14-15-16-18(13)11-4-2-1-3-5-11/h11-12,19H,1-10H2/p+1
InChIKeyGXMFVVUJLJUAKZ-UHFFFAOYSA-O
XLogP-0.28
TPSA68.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol (CID 7140595) is 1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol is OC1CC[NH+](Cc2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol?
The InChIKey is GXMFVVUJLJUAKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23N5O/c19-12-6-8-17(9-7-12)10-13-14-15-16-18(13)11-4-2-1-3-5-11/h11-12,19H,1-10H2/p+1.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol?
1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol has a molecular weight of 266.37 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium-4-ol is sourced from PubChem (CID 7140595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).