6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C23H31N3O2 — CID 166727421

IUPAC6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(C[C@H]2CCN(C(C)c3ccc4c(n3)OCCO4)C[C@@H]2C)cc(C)n1
InChIInChI=1S/C23H31N3O2/c1-15-14-26(8-7-20(15)13-19-11-16(2)24-17(3)12-19)18(4)21-5-6-22-23(25-21)28-10-9-27-22/h5-6,11-12,15,18,20H,7-10,13-14H2,1-4H3/t15-,18?,20+/m0/s1
InChIKeyYRWHKVYOBQLLOF-BEHPGTHXSA-N
MW381.52 g/mol
LogP4.13
Rot. Bonds4

About 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 166727421) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID166727421
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(C[C@H]2CCN(C(C)c3ccc4c(n3)OCCO4)C[C@@H]2C)cc(C)n1
InChIInChI=1S/C23H31N3O2/c1-15-14-26(8-7-20(15)13-19-11-16(2)24-17(3)12-19)18(4)21-5-6-22-23(25-21)28-10-9-27-22/h5-6,11-12,15,18,20H,7-10,13-14H2,1-4H3/t15-,18?,20+/m0/s1
InChIKeyYRWHKVYOBQLLOF-BEHPGTHXSA-N
XLogP4.13
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 166727421) is 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(C[C@H]2CCN(C(C)c3ccc4c(n3)OCCO4)C[C@@H]2C)cc(C)n1.
What is the InChIKey of 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is YRWHKVYOBQLLOF-BEHPGTHXSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-15-14-26(8-7-20(15)13-19-11-16(2)24-17(3)12-19)18(4)21-5-6-22-23(25-21)28-10-9-27-22/h5-6,11-12,15,18,20H,7-10,13-14H2,1-4H3/t15-,18?,20+/m0/s1.
What are the key properties of 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 381.52 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 166727421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).