1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine

C39H79N3O — CID 159084884

IUPAC1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine
SMILESC.C.CC(C)(C)N1CCCCC1.CN(C)CCCC(C)(C)C.COc1ccc(CCN2CCC(CC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31NO.C9H19N.C9H21N.2CH4/c1-19(2,3)15-17-10-13-20(14-11-17)12-9-16-5-7-18(21-4)8-6-16;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)7-6-8-10(4)5;;/h5-8,17H,9-15H2,1-4H3;4-8H2,1-3H3;6-8H2,1-5H3;2*1H4
InChIKeyKBIBFDIFEJWVKY-UHFFFAOYSA-N
MW606.08 g/mol
LogP10.30
Rot. Bonds8

About 1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine

1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine (PubChem CID 159084884) has the molecular formula C39H79N3O and a molecular weight of 606.08 g/mol. Its IUPAC name is 1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine
PubChem CID159084884
Molecular FormulaC39H79N3O
Molecular Weight606.08 g/mol
Exact Mass605.62
IUPAC Name1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine
SMILESC.C.CC(C)(C)N1CCCCC1.CN(C)CCCC(C)(C)C.COc1ccc(CCN2CCC(CC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31NO.C9H19N.C9H21N.2CH4/c1-19(2,3)15-17-10-13-20(14-11-17)12-9-16-5-7-18(21-4)8-6-16;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)7-6-8-10(4)5;;/h5-8,17H,9-15H2,1-4H3;4-8H2,1-3H3;6-8H2,1-5H3;2*1H4
InChIKeyKBIBFDIFEJWVKY-UHFFFAOYSA-N
XLogP10.30
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.08
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine
CID 158480561
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 24732624
1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118531494
N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 24732325
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-(quinolin-2-ylmethyl)methanamine
CID 26396180
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine?
The IUPAC name of 1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine (CID 159084884) is 1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine is C.C.CC(C)(C)N1CCCCC1.CN(C)CCCC(C)(C)C.COc1ccc(CCN2CCC(CC(C)(C)C)CC2)cc1.
What is the InChIKey of 1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine?
The InChIKey is KBIBFDIFEJWVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.C9H19N.C9H21N.2CH4/c1-19(2,3)15-17-10-13-20(14-11-17)12-9-16-5-7-18(21-4)8-6-16;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)7-6-8-10(4)5;;/h5-8,17H,9-15H2,1-4H3;4-8H2,1-3H3;6-8H2,1-5H3;2*1H4.
What are the key properties of 1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine?
1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine has a molecular weight of 606.08 g/mol, XLogP of 10.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 159084884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).