1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine

C22H44N2 — CID 90702996

IUPAC1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine
SMILESCCC(C)(CC(C)(CC)N1CCCCC1(C)C)C1CCN(C)CC1
InChIInChI=1S/C22H44N2/c1-8-21(5,19-12-16-23(7)17-13-19)18-22(6,9-2)24-15-11-10-14-20(24,3)4/h19H,8-18H2,1-7H3
InChIKeyPJMUFCPCCNYCQQ-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.57
Rot. Bonds6

About 1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine

1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine (PubChem CID 90702996) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine.

Molecular Properties

Compound Name1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine
PubChem CID90702996
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine
SMILESCCC(C)(CC(C)(CC)N1CCCCC1(C)C)C1CCN(C)CC1
InChIInChI=1S/C22H44N2/c1-8-21(5,19-12-16-23(7)17-13-19)18-22(6,9-2)24-15-11-10-14-20(24,3)4/h19H,8-18H2,1-7H3
InChIKeyPJMUFCPCCNYCQQ-UHFFFAOYSA-N
XLogP5.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bertosamil
CID 16092093
4,4'-(Propane-1,3-diyl)bis(1-methylpiperidine)
CID 116563
3-(2-Methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
CID 65956
9-Butyl-9-ethyl-3,7-dihexyl-3,7-diazabicyclo[3.3.1]nonane
CID 10809691
2,2,6,6-Tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine
CID 46232835
3-(9-tert-butyl-3-azaspiro[5.5]undec-3-yl)-N,N-dimethyl-1-propanamine
CID 56993
3,7,9,9-Tetrabutyl-3,7-diazabicyclo[3.3.1]nonane
CID 10712869
9,9-Dibutyl-3-(cyclohexylmethyl)-7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane
CID 44340473
2,2,6,6-Tetramethyl-1-[10-(2,2,6,6-tetramethylpiperidin-1-yl)decyl]piperidine
CID 46232797
2,2,6,6-Tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine
CID 46232834
3,7-Didecyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 10694152
1-Methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride
CID 11539395

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine?
The IUPAC name of 1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine (CID 90702996) is 1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine.
What is the SMILES notation for 1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine?
The canonical SMILES for 1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine is CCC(C)(CC(C)(CC)N1CCCCC1(C)C)C1CCN(C)CC1.
What is the InChIKey of 1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine?
The InChIKey is PJMUFCPCCNYCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-8-21(5,19-12-16-23(7)17-13-19)18-22(6,9-2)24-15-11-10-14-20(24,3)4/h19H,8-18H2,1-7H3.
What are the key properties of 1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine?
1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine has a molecular weight of 336.61 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine is sourced from PubChem (CID 90702996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).