(2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide

C30H42N3O2- — CID 163967647

IUPAC(2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC([N-]C5CCCC(O)C5O)CC4)n3)ccc21
InChIInChI=1S/C30H42N3O2/c1-29(2)15-16-30(3,4)23-19-20(11-12-22(23)29)24-7-6-10-27(32-24)33-17-13-21(14-18-33)31-25-8-5-9-26(34)28(25)35/h6-7,10-12,19,21,25-26,28,34-35H,5,8-9,13-18H2,1-4H3/q-1
InChIKeySNFGOSKYALGIEN-UHFFFAOYSA-N
MW476.69 g/mol
LogP5.71
Rot. Bonds4

About (2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide

(2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide (PubChem CID 163967647) has the molecular formula C30H42N3O2- and a molecular weight of 476.69 g/mol. Its IUPAC name is (2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide.

Molecular Properties

Compound Name(2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide
PubChem CID163967647
Molecular FormulaC30H42N3O2-
Molecular Weight476.69 g/mol
Exact Mass476.33
IUPAC Name(2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC([N-]C5CCCC(O)C5O)CC4)n3)ccc21
InChIInChI=1S/C30H42N3O2/c1-29(2)15-16-30(3,4)23-19-20(11-12-22(23)29)24-7-6-10-27(32-24)33-17-13-21(14-18-33)31-25-8-5-9-26(34)28(25)35/h6-7,10-12,19,21,25-26,28,34-35H,5,8-9,13-18H2,1-4H3/q-1
InChIKeySNFGOSKYALGIEN-UHFFFAOYSA-N
XLogP5.71
TPSA70.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide?
The IUPAC name of (2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide (CID 163967647) is (2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide.
What is the SMILES notation for (2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide?
The canonical SMILES for (2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC([N-]C5CCCC(O)C5O)CC4)n3)ccc21.
What is the InChIKey of (2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide?
The InChIKey is SNFGOSKYALGIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N3O2/c1-29(2)15-16-30(3,4)23-19-20(11-12-22(23)29)24-7-6-10-27(32-24)33-17-13-21(14-18-33)31-25-8-5-9-26(34)28(25)35/h6-7,10-12,19,21,25-26,28,34-35H,5,8-9,13-18H2,1-4H3/q-1.
What are the key properties of (2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide?
(2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide has a molecular weight of 476.69 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxycyclohexyl)-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]azanide is sourced from PubChem (CID 163967647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).