2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid

C20H25N3O2 — CID 67130483

IUPAC2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
SMILESCc1ccccc1-c1cccc(N2CCC(CCNC(=O)O)CC2)n1
InChIInChI=1S/C20H25N3O2/c1-15-5-2-3-6-17(15)18-7-4-8-19(22-18)23-13-10-16(11-14-23)9-12-21-20(24)25/h2-8,16,21H,9-14H2,1H3,(H,24,25)
InChIKeyGRIYVUNWBYYNLF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.93
Rot. Bonds5

About 2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid

2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid (PubChem CID 67130483) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
PubChem CID67130483
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
SMILESCc1ccccc1-c1cccc(N2CCC(CCNC(=O)O)CC2)n1
InChIInChI=1S/C20H25N3O2/c1-15-5-2-3-6-17(15)18-7-4-8-19(22-18)23-13-10-16(11-14-23)9-12-21-20(24)25/h2-8,16,21H,9-14H2,1H3,(H,24,25)
InChIKeyGRIYVUNWBYYNLF-UHFFFAOYSA-N
XLogP3.93
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid (CID 67130483) is 2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid is Cc1ccccc1-c1cccc(N2CCC(CCNC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The InChIKey is GRIYVUNWBYYNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-5-2-3-6-17(15)18-7-4-8-19(22-18)23-13-10-16(11-14-23)9-12-21-20(24)25/h2-8,16,21H,9-14H2,1H3,(H,24,25).
What are the key properties of 2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid has a molecular weight of 339.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 67130483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).