(4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone

C14H17N5O — CID 864769

IUPAC(4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C14H17N5O/c1-11-6-8-18(9-7-11)14(20)12-2-4-13(5-3-12)19-10-15-16-17-19/h2-5,10-11H,6-9H2,1H3
InChIKeyMDEVBGYONZGAAD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.53
Rot. Bonds2

About (4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone

(4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 864769) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
PubChem CID864769
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C14H17N5O/c1-11-6-8-18(9-7-11)14(20)12-2-4-13(5-3-12)19-10-15-16-17-19/h2-5,10-11H,6-9H2,1H3
InChIKeyMDEVBGYONZGAAD-UHFFFAOYSA-N
XLogP1.53
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone (CID 864769) is (4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone is CC1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is MDEVBGYONZGAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-11-6-8-18(9-7-11)14(20)12-2-4-13(5-3-12)19-10-15-16-17-19/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
(4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 271.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 864769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).