1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine

C16H33N3 — CID 117021707

IUPAC1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine
SMILESCC(C)CCN1CC(N2CCNCC2)CCC1(C)C
InChIInChI=1S/C16H33N3/c1-14(2)6-10-19-13-15(5-7-16(19,3)4)18-11-8-17-9-12-18/h14-15,17H,5-13H2,1-4H3
InChIKeyOBGWPQLAAGPYLH-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds4

About 1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine

1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine (PubChem CID 117021707) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine
PubChem CID117021707
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine
SMILESCC(C)CCN1CC(N2CCNCC2)CCC1(C)C
InChIInChI=1S/C16H33N3/c1-14(2)6-10-19-13-15(5-7-16(19,3)4)18-11-8-17-9-12-18/h14-15,17H,5-13H2,1-4H3
InChIKeyOBGWPQLAAGPYLH-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine
CID 117021450
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
7-methyl-1-(3-methylbutyl)-1,4-diazepane
CID 64870978
1-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]piperazine
CID 70376985
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine
CID 117018992
(1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane
CID 91989728
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane;trihydrochloride
CID 70298410
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
6,6-dimethyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 72528013
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine
CID 112739446

Frequently Asked Questions

What is the IUPAC name of 1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine?
The IUPAC name of 1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine (CID 117021707) is 1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine.
What is the SMILES notation for 1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine?
The canonical SMILES for 1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine is CC(C)CCN1CC(N2CCNCC2)CCC1(C)C.
What is the InChIKey of 1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine?
The InChIKey is OBGWPQLAAGPYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)6-10-19-13-15(5-7-16(19,3)4)18-11-8-17-9-12-18/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine?
1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]piperazine is sourced from PubChem (CID 117021707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).