1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride

C12H21ClN5O- — CID 53350448

IUPAC1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride
SMILESC1CCN(Cc2nnnn2CC2CCCO2)CC1.[Cl-]
InChIInChI=1S/C12H21N5O.ClH/c1-2-6-16(7-3-1)10-12-13-14-15-17(12)9-11-5-4-8-18-11;/h11H,1-10H2;1H/p-1
InChIKeyOHPZRODDSABSSQ-UHFFFAOYSA-M
MW286.79 g/mol
LogP-2.16
Rot. Bonds4

About 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride

1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride (PubChem CID 53350448) has the molecular formula C12H21ClN5O- and a molecular weight of 286.79 g/mol. Its IUPAC name is 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride.

Molecular Properties

Compound Name1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride
PubChem CID53350448
Molecular FormulaC12H21ClN5O-
Molecular Weight286.79 g/mol
Exact Mass286.14
IUPAC Name1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride
SMILESC1CCN(Cc2nnnn2CC2CCCO2)CC1.[Cl-]
InChIInChI=1S/C12H21N5O.ClH/c1-2-6-16(7-3-1)10-12-13-14-15-17(12)9-11-5-4-8-18-11;/h11H,1-10H2;1H/p-1
InChIKeyOHPZRODDSABSSQ-UHFFFAOYSA-M
XLogP-2.16
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride?
The IUPAC name of 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride (CID 53350448) is 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride.
What is the SMILES notation for 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride?
The canonical SMILES for 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride is C1CCN(Cc2nnnn2CC2CCCO2)CC1.[Cl-].
What is the InChIKey of 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride?
The InChIKey is OHPZRODDSABSSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H21N5O.ClH/c1-2-6-16(7-3-1)10-12-13-14-15-17(12)9-11-5-4-8-18-11;/h11H,1-10H2;1H/p-1.
What are the key properties of 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride?
1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride has a molecular weight of 286.79 g/mol, XLogP of -2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride is sourced from PubChem (CID 53350448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).