2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine

C24H33N3O2 — CID 67621069

IUPAC2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine
SMILESCC(C(C)N1CCC(c2cccc3c2OCCO3)CC1)[C@@H](C)c1ncccc1N
InChIInChI=1S/C24H33N3O2/c1-16(17(2)23-21(25)7-5-11-26-23)18(3)27-12-9-19(10-13-27)20-6-4-8-22-24(20)29-15-14-28-22/h4-8,11,16-19H,9-10,12-15,25H2,1-3H3/t16?,17-,18?/m1/s1
InChIKeyMVRMRJXHWLFCRP-LXPRWKDFSA-N
MW395.55 g/mol
LogP4.44
Rot. Bonds5

About 2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine

2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine (PubChem CID 67621069) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine
PubChem CID67621069
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine
SMILESCC(C(C)N1CCC(c2cccc3c2OCCO3)CC1)[C@@H](C)c1ncccc1N
InChIInChI=1S/C24H33N3O2/c1-16(17(2)23-21(25)7-5-11-26-23)18(3)27-12-9-19(10-13-27)20-6-4-8-22-24(20)29-15-14-28-22/h4-8,11,16-19H,9-10,12-15,25H2,1-3H3/t16?,17-,18?/m1/s1
InChIKeyMVRMRJXHWLFCRP-LXPRWKDFSA-N
XLogP4.44
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine?
The IUPAC name of 2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine (CID 67621069) is 2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine.
What is the SMILES notation for 2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine?
The canonical SMILES for 2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine is CC(C(C)N1CCC(c2cccc3c2OCCO3)CC1)[C@@H](C)c1ncccc1N.
What is the InChIKey of 2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine?
The InChIKey is MVRMRJXHWLFCRP-LXPRWKDFSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-16(17(2)23-21(25)7-5-11-26-23)18(3)27-12-9-19(10-13-27)20-6-4-8-22-24(20)29-15-14-28-22/h4-8,11,16-19H,9-10,12-15,25H2,1-3H3/t16?,17-,18?/m1/s1.
What are the key properties of 2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine?
2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine has a molecular weight of 395.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-3-methylpentan-2-yl]pyridin-3-amine is sourced from PubChem (CID 67621069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).