[1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine

C9H18N6 — CID 18614309

IUPAC[1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine
SMILESCN1CCC(CN)(Cc2nn[nH]n2)CC1
InChIInChI=1S/C9H18N6/c1-15-4-2-9(7-10,3-5-15)6-8-11-13-14-12-8/h2-7,10H2,1H3,(H,11,12,13,14)
InChIKeyHIZJCMAUGARQRM-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.59
Rot. Bonds3

About [1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine

[1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine (PubChem CID 18614309) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is [1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine
PubChem CID18614309
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name[1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine
SMILESCN1CCC(CN)(Cc2nn[nH]n2)CC1
InChIInChI=1S/C9H18N6/c1-15-4-2-9(7-10,3-5-15)6-8-11-13-14-12-8/h2-7,10H2,1H3,(H,11,12,13,14)
InChIKeyHIZJCMAUGARQRM-UHFFFAOYSA-N
XLogP-0.59
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine (CID 18614309) is [1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine is CN1CCC(CN)(Cc2nn[nH]n2)CC1.
What is the InChIKey of [1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine?
The InChIKey is HIZJCMAUGARQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-15-4-2-9(7-10,3-5-15)6-8-11-13-14-12-8/h2-7,10H2,1H3,(H,11,12,13,14).
What are the key properties of [1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine?
[1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(2H-tetrazol-5-ylmethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 18614309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).