4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol

C29H46N4O — CID 142790741

IUPAC4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol
SMILESCCC1(CC)CCC(CC)(CC)c2cc(-c3cn(C4CCN(CCCCO)CC4)nn3)ccc21
InChIInChI=1S/C29H46N4O/c1-5-28(6-2)15-16-29(7-3,8-4)26-21-23(11-12-25(26)28)27-22-33(31-30-27)24-13-18-32(19-14-24)17-9-10-20-34/h11-12,21-22,24,34H,5-10,13-20H2,1-4H3
InChIKeyRFRVNWOEGMQSTR-UHFFFAOYSA-N
MW466.71 g/mol
LogP6.26
Rot. Bonds10

About 4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol

4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol (PubChem CID 142790741) has the molecular formula C29H46N4O and a molecular weight of 466.71 g/mol. Its IUPAC name is 4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol
PubChem CID142790741
Molecular FormulaC29H46N4O
Molecular Weight466.71 g/mol
Exact Mass466.37
IUPAC Name4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol
SMILESCCC1(CC)CCC(CC)(CC)c2cc(-c3cn(C4CCN(CCCCO)CC4)nn3)ccc21
InChIInChI=1S/C29H46N4O/c1-5-28(6-2)15-16-29(7-3,8-4)26-21-23(11-12-25(26)28)27-22-33(31-30-27)24-13-18-32(19-14-24)17-9-10-20-34/h11-12,21-22,24,34H,5-10,13-20H2,1-4H3
InChIKeyRFRVNWOEGMQSTR-UHFFFAOYSA-N
XLogP6.26
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol
CID 67322961
tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate
CID 67324522
1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole
CID 166088183
4-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol
CID 53250556
4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine
CID 46996048
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]ethanone
CID 160657363
4-[4-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-pyridinyl]piperazin-1-yl]butan-1-ol
CID 53250708
3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol
CID 53320688
4-[4-(4-methylphenyl)triazol-1-yl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine;2,2,2-trifluoroacetic acid
CID 154885616
2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 147858441
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propylpiperidin-4-yl)triazol-4-yl]ethanone
CID 158214708
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 138590816

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol (CID 142790741) is 4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol is CCC1(CC)CCC(CC)(CC)c2cc(-c3cn(C4CCN(CCCCO)CC4)nn3)ccc21.
What is the InChIKey of 4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol?
The InChIKey is RFRVNWOEGMQSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N4O/c1-5-28(6-2)15-16-29(7-3,8-4)26-21-23(11-12-25(26)28)27-22-33(31-30-27)24-13-18-32(19-14-24)17-9-10-20-34/h11-12,21-22,24,34H,5-10,13-20H2,1-4H3.
What are the key properties of 4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol?
4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol has a molecular weight of 466.71 g/mol, XLogP of 6.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5,5,8,8-tetraethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 142790741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).