(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine

C24H42N4O — CID 163466269

IUPAC(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine
SMILESC[C@@H]1CN(c2cc(C(C)(C)C)ccn2)C[C@H](C)N1CCOCCN1CCCCC1
InChIInChI=1S/C24H42N4O/c1-20-18-27(23-17-22(9-10-25-23)24(3,4)5)19-21(2)28(20)14-16-29-15-13-26-11-7-6-8-12-26/h9-10,17,20-21H,6-8,11-16,18-19H2,1-5H3/t20-,21+
InChIKeyKZOKQNOEMNOXMU-OYRHEFFESA-N
MW402.63 g/mol
LogP3.78
Rot. Bonds7

About (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine

(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine (PubChem CID 163466269) has the molecular formula C24H42N4O and a molecular weight of 402.63 g/mol. Its IUPAC name is (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine.

Molecular Properties

Compound Name(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine
PubChem CID163466269
Molecular FormulaC24H42N4O
Molecular Weight402.63 g/mol
Exact Mass402.34
IUPAC Name(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine
SMILESC[C@@H]1CN(c2cc(C(C)(C)C)ccn2)C[C@H](C)N1CCOCCN1CCCCC1
InChIInChI=1S/C24H42N4O/c1-20-18-27(23-17-22(9-10-25-23)24(3,4)5)19-21(2)28(20)14-16-29-15-13-26-11-7-6-8-12-26/h9-10,17,20-21H,6-8,11-16,18-19H2,1-5H3/t20-,21+
InChIKeyKZOKQNOEMNOXMU-OYRHEFFESA-N
XLogP3.78
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.63
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine with MolForge

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Related Compounds

(2S,6R)-2,6-dimethyl-1-[2-(2-piperazin-1-ylethoxy)ethyl]-4-(4-propan-2-yl-2-pyridinyl)piperazine;ethane
CID 156866746
N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654407
1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133369766
(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine
CID 163528665
2-(azetidin-1-yl)-4-(2-methylbutan-2-yl)pyridine
CID 71155012
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
1-[3-(4-tert-butyl-2-methylphenoxy)propyl]piperidine;oxalic acid
CID 2923350
1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 153436946
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770
2-methyl-N-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297544
2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine
CID 114543057
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
CID 70865812

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine?
The IUPAC name of (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine (CID 163466269) is (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine.
What is the SMILES notation for (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine?
The canonical SMILES for (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine is C[C@@H]1CN(c2cc(C(C)(C)C)ccn2)C[C@H](C)N1CCOCCN1CCCCC1.
What is the InChIKey of (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine?
The InChIKey is KZOKQNOEMNOXMU-OYRHEFFESA-N. The full InChI is InChI=1S/C24H42N4O/c1-20-18-27(23-17-22(9-10-25-23)24(3,4)5)19-21(2)28(20)14-16-29-15-13-26-11-7-6-8-12-26/h9-10,17,20-21H,6-8,11-16,18-19H2,1-5H3/t20-,21+.
What are the key properties of (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine?
(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine has a molecular weight of 402.63 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine is sourced from PubChem (CID 163466269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).